Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22383433 | 0.88 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 | |
| SCHEMBL995082 | 0.87 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 | |
| SCHEMBL14400431 | 0.84 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 | |
| SCHEMBL42453 | 0.83 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 | |
| SCHEMBL22443175 | 0.81 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 | |
| SCHEMBL3416030 | 0.81 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 | |
| SCHEMBL995470 | 0.81 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 | |
| Ethylene SCHEMBL21799138 | 0.80 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 | |
| SCHEMBL20434242 | 0.80 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 | |
| SCHEMBL28876138 | 0.80 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2TDP1TSHRMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934264-A1 | PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS | PFIZER INC. (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5755833-A | URETHANE COMPOUND; ANTIDEPOSIT, ANTISLUDGING AGENT; GASOLINE | NIPPON OIL CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| WO-1998012177-A1 | PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS | PFIZER INC. (JP) | 1998-03-26 | — | — | WO | disclosed |
| EP-0723985-A1 | Fuel additive | NIPPON OIL CO. LTD. (JP) | 1996-07-31 | — | — | EP | disclosed |