Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.72 |
| ▸ | HTR3B | O95264 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | THPO | P40225 | 1/20 | 0.72 |
| ▸ | HTR3A | P46098 | 1/20 | 0.72 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.72 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5873582 | 0.86 | ALDH1A1 (0.76) | ALDH1A1CYP1A2HTR3EHTR3BCYP3A4 | |
| 6-Nitroquipazine SCHEMBL401156 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP1A2HTR3EHTR3BCYP3A4 | |
| SCHEMBL31373520 | 0.82 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HTR3EHTR3BCYP3A4 | |
| SCHEMBL3555470 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP1A2HTR3EHTR3BCYP3A4 | |
| SCHEMBL5911024 | 0.81 | ALDH1A1 (0.67) | ALDH1A1CYP1A2HTR3EHTR3BCYP3A4 | |
| SCHEMBL31060742 | 0.80 | ALDH1A1 (0.90) | ALDH1A1CYP1A2HTR3EHTR3BCYP3A4 | |
| SCHEMBL4658288 | 0.80 | ACHE (0.56) | ALDH1A1CYP1A2HTR3EHTR3BCYP3A4 | |
| SCHEMBL6232309 | 0.78 | CTSB (0.55) | ALDH1A1CYP1A2HTR3EHTR3BCYP3A4 | |
| SCHEMBL15521587 | 0.78 | ALDH1A1 (0.63) | ALDH1A1CYP1A2HTR3EHTR3BCYP3A4 | |
| SCHEMBL14906628 | 0.76 | POLB (0.58) | ALDH1A1CYP1A2CYP2C9HPGDMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10011573-B2 | Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2018-07-03 | — | — | US | disclosed |
| US-10011573-B2 | Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2018-07-03 | — | — | US | disclosed |
| US-20170183319-A1 | HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-06-29 | — | — | US | disclosed |
| US-20170183319-A1 | HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-06-29 | — | — | US | disclosed |
| US-7666873-B2 | N-phenyl-(2R,5S)dimethylpiperazine derivative | ASTELLAS PHARMA INC. (JP) | 2010-02-23 | — | — | US | disclosed |
| EP-1819342-A4 | QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-12-17 | — | — | EP | disclosed |
| US-20080214543-A1 | N-Phenyl-(2R,5S)Dimethylpiperazine Derivative | ASTELLAS PHARMA INC. (JP) | 2008-09-04 | — | — | US | disclosed |
| US-20070293492-A1 | Quinoline Tachykinin Receptor Antagonists | MERCK SHARP & DOHME CORP. | 2007-12-20 | — | — | US | disclosed |
| US-7297698-B2 | N-phenyl-(2R,5S) dimethylpiperazine derivative | ASTELLAS PHARMA INC. (JP) | 2007-11-20 | — | — | US | disclosed |
| EP-1819342-A1 | QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006060390-A1 | QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-06-08 | — | — | WO | disclosed |
| US-20050261303-A1 | N-phenyl-(2r,5s) dimethylpiperadine derivative | ASTELLAS PHARMA INC. (JP) | 2005-11-24 | — | — | US | disclosed |
| EP-1557411-A1 | N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2005-07-27 | — | — | EP | disclosed |
| US-5026694-A | Antitumor agents | THE BRITISH COLUMBIA CANCER FOUNDATION (CA) | 1991-06-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050261303-A1 | N-phenyl-(2r,5s) dimethylpiperadine derivative | BPHL, QDPR, SRD5A2 | ALDH1A1 172/4885CYP1A2 142/4885HTR3E 604/4885 |
| US-20070293492-A1 | Quinoline Tachykinin Receptor Antagonists | TACR1, TACR2, NPSR1 | ALDH1A1 874/4885CYP1A2 2459/4885HTR3E 155/4885 |
| US-10011573-B2 | Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use | AR, SHBG, BRCA1 | ALDH1A1 1480/4885CYP1A2 1479/4885HTR3E 452/4885 |
| US-20080214543-A1 | N-Phenyl-(2R,5S)Dimethylpiperazine Derivative | BPHL, AR, SRD5A2 | ALDH1A1 296/4885CYP1A2 193/4885HTR3E 1355/4885 |
| US-20170183319-A1 | HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE | AR, FSHR, ESRRB | ALDH1A1 2525/4885CYP1A2 1717/4885HTR3E 675/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.