Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26790744 | 0.93 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AHTTMEN1 | |
| SCHEMBL28035890 | 0.81 | RAB9A (0.56) | ALDH1A1NPC1RAB9AHTTMEN1 | |
| SCHEMBL24261118 | 0.81 | HTT (0.73) | ALDH1A1NPC1RAB9AHTTMEN1 | |
| SCHEMBL3566631 | 0.80 | TLR9 (0.50) | ALDH1A1NPC1RAB9AHTTMEN1 | |
| SCHEMBL30891066 | 0.80 | TLR9 (0.50) | ALDH1A1NPC1RAB9AHTTMEN1 | |
| SCHEMBL15942810 | 0.78 | CYP1A2 (0.44) | ALDH1A1NPC1RAB9AHTTMEN1 | |
| SCHEMBL13208403 | 0.77 | HTT (0.41) | ALDH1A1NPC1RAB9AHTTMEN1 | |
| SCHEMBL13768061 | 0.77 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9AHTTMEN1 | |
| SCHEMBL14330664 | 0.77 | NQO2 (0.50) | ALDH1A1NPC1RAB9ANQO2MAPT | |
| SCHEMBL6844954 | 0.76 | CYP1A2 (0.54) | ALDH1A1NPC1RAB9ANQO2MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7666873-B2 | N-phenyl-(2R,5S)dimethylpiperazine derivative | ASTELLAS PHARMA INC. (JP) | 2010-02-23 | — | — | US | disclosed |
| US-7666873-B2 | N-phenyl-(2R,5S)dimethylpiperazine derivative | ASTELLAS PHARMA INC. (JP) | 2010-02-23 | — | — | US | disclosed |
| WO-2009042092-A1 | 2-ARYL OR HETEROARYL INDOLE DERIVATIVES | MERCK & CO., INC. (US) | 2009-04-02 | — | — | WO | disclosed |
| US-20080214543-A1 | N-Phenyl-(2R,5S)Dimethylpiperazine Derivative | ASTELLAS PHARMA INC. (JP) | 2008-09-04 | — | — | US | disclosed |
| US-20080214543-A1 | N-Phenyl-(2R,5S)Dimethylpiperazine Derivative | ASTELLAS PHARMA INC. (JP) | 2008-09-04 | — | — | US | disclosed |
| US-7297698-B2 | N-phenyl-(2R,5S) dimethylpiperazine derivative | ASTELLAS PHARMA INC. (JP) | 2007-11-20 | — | — | US | disclosed |
| US-7297698-B2 | N-phenyl-(2R,5S) dimethylpiperazine derivative | ASTELLAS PHARMA INC. (JP) | 2007-11-20 | — | — | 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 (1 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-20080214543-A1 | N-Phenyl-(2R,5S)Dimethylpiperazine Derivative | BPHL, AR, SRD5A2 | ALDH1A1 296/4885NPC1 1480/4885RAB9A 4327/4885 |
“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.