Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GSR | P00390 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28802526 | 0.82 | ALOX12 (0.43) | CYP2A6CYP2E1CYP3A4ALOX12KMT2A | |
| SCHEMBL29728425 | 0.82 | ALOX12 (0.43) | CYP2A6CYP2E1CYP3A4ALOX12KMT2A | |
| SCHEMBL30230906 | 0.81 | CYP2A6 (0.56) | CYP2A6CYP2E1CYP3A4ALOX12HTT | |
| SCHEMBL30174245 | 0.78 | MYC (0.49) | ALOX12KMT2AGSRKDM4EALDH1A1 | |
| SCHEMBL25528988 | 0.78 | MYC (0.49) | ALOX12KMT2AGSRKDM4EALDH1A1 | |
| SCHEMBL30174246 | 0.77 | MKNK1 (0.47) | ALOX12KMT2AGSRKDM4EALDH1A1 | |
| SCHEMBL3607993 | 0.75 | CYP2A6 (0.55) | CYP2A6CYP2E1CYP3A4ALOX12HTT | |
| SCHEMBL12349882 | 0.75 | CYP2A6 (0.59) | CYP2A6CYP2E1CYP3A4ALOX12HTT | |
| SCHEMBL31456749 | 0.75 | KMT2A (0.49) | CYP2A6CYP2E1CYP3A4ALOX12KMT2A | |
| SCHEMBL2724859 | 0.75 | ALDH1A1 (0.48) | CYP2A6CYP2E1CYP3A4ALOX12KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019152731-A1 | ANDROGEN RECEPTOR ANTAGONISTS | ALPINE ANDROSCIENCES, INC. (US) | 2019-08-08 | — | — | WO | disclosed |
| US-9567301-B2 | Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-02-14 | — | — | US | disclosed |
| US-9540320-B2 | — | — | 2017-01-10 | — | — | US | disclosed |
| US-20150291521-A1 | PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS | DANA-FARBER CANCER INSTITUTE, INC. | 2015-10-15 | — | — | US | disclosed |
| US-20080281105-A1 | Novel Quinolinium Salts and Derivatives | IMMUSOL INCORPORATED (US) | 2008-11-13 | — | — | US | disclosed |
| EP-1841428-A1 | NOVEL QUINOLINIUM SALTS AND DERIVATIVES | Immusol Incorporated (US) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006078754-A1 | NOVEL QUINOLINIUM SALTS AND DERIVATIVES | IMMUSOL INCORPORATED (US) | 2006-07-27 | — | — | WO | 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 (2 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-20080281105-A1 | Novel Quinolinium Salts and Derivatives | NQO2, MCL1, KRAS | CYP2A6 4623/4885CYP2E1 4429/4885CYP3A4 3847/4885 |
| US-20150291521-A1 | PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS | MYC, MYCBP, YAP1 | CYP2A6 1996/4885CYP2E1 1109/4885CYP3A4 3028/4885 |
“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.