Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1810243 | 0.84 | ALDH1A1 (0.47) | ALDH1A1PBRM1ATMGPR84NR4A2 | |
| SCHEMBL6205542 | 0.84 | ALDH1A1 (0.47) | ALDH1A1PBRM1ATMGPR84NR4A2 | |
| SCHEMBL27411346 | 0.84 | PBRM1 (0.47) | ALDH1A1PBRM1ATMGPR84NR4A2 | |
| SCHEMBL30410283 | 0.82 | ALDH1A1 (0.45) | ALDH1A1PBRM1ATMGPR84NR4A2 | |
| SCHEMBL18932184 | 0.82 | ALDH1A1 (0.45) | ALDH1A1PBRM1ATMGPR84NR4A2 | |
| SCHEMBL17866728 | 0.81 | PBRM1 (0.50) | ALDH1A1PBRM1ATMGPR84NR4A2 | |
| SCHEMBL6288556 | 0.80 | PBRM1 (0.49) | ALDH1A1PBRM1ATMGPR84NR4A2 | |
| SCHEMBL5172407 | 0.80 | PBRM1 (0.49) | ALDH1A1PBRM1ATMGPR84NR4A2 | |
| SCHEMBL5174863 | 0.80 | PBRM1 (0.49) | ALDH1A1PBRM1ATMGPR84NR4A2 | |
| SCHEMBL29433056 | 0.78 | ALDH1A1 (0.42) | ALDH1A1PBRM1ATMGPR84NR4A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954681-A2 | COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT | National Jewish Medical and Research Center (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007073518-A9 | COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT | NAT JEWISH MED & RES CENTER (US) | 2007-08-23 | — | — | WO | disclosed |
| WO-2007073518-A2 | COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT | NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) | 2007-06-28 | — | — | WO | disclosed |