Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.45 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.45 |
| ▸ | EIF4H | Q15056 | 2/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28707196 | 0.79 | ALDH1A1 (0.50) | ALDH1A1NPSR1TSHRHTTCYP1A2 | |
| SCHEMBL29459506 | 0.79 | ALDH1A1 (0.50) | ALDH1A1NPSR1TSHRHTTCYP1A2 | |
| SCHEMBL14271511 | 0.79 | NPC1 (0.45) | ALDH1A1CYP1A2CYP3A4SMN1; SMN2LMNA | |
| SCHEMBL904741 | 0.79 | JMJD6 (0.53) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL3436324 | 0.75 | NPC1 (0.50) | ALDH1A1SMN1; SMN2LMNAMAPTGAA | |
| SCHEMBL4958588 | 0.73 | PABPC1 (0.47) | ALDH1A1NPSR1TSHRHTTCYP1A2 | |
| SCHEMBL9798847 | 0.72 | GAA (0.64) | ALDH1A1NPSR1SMN1; SMN2MAPK1MEN1 | |
| SCHEMBL9798916 | 0.72 | TDP1 (0.58) | ALDH1A1NPSR1TSHRHTTCYP1A2 | |
| SCHEMBL694601 | 0.71 | GRM2 (0.48) | ALDH1A1TSHRHTTSMN1; SMN2LMNA | |
| SCHEMBL10965979 | 0.71 | ALDH1A1 (0.48) | ALDH1A1NPSR1TSHRHTTCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0939757-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | Dupont Pharmaceuticals Company (US) | 1999-09-08 | — | — | EP | disclosed |
| WO-1997023480-A1 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-07-03 | — | — | WO | disclosed |