Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24554795 | 0.76 | CES2 (0.48) | CES2CES1LCKFYNDAO | |
| SCHEMBL2992590 | 0.74 | LCK (0.41) | CES2CES1LCKFYNDAO | |
| SCHEMBL2992588 | 0.74 | LCK (0.41) | CES2CES1LCKFYNDAO | |
| SCHEMBL28919959 | 0.73 | ALDH1A1 (0.43) | HPGDNPC1RAB9AALDH1A1MAPT | |
| SCHEMBL9683260 | 0.73 | ALDH1A1 (0.43) | HPGDNPC1RAB9AALDH1A1MAPT | |
| SCHEMBL9683262 | 0.73 | ALDH1A1 (0.43) | HPGDNPC1RAB9AALDH1A1MAPT | |
| SCHEMBL22492769 | 0.72 | HTT (0.46) | HPGDALDH1A1SMN1; SMN2MEN1LMNA | |
| SCHEMBL5242504 | 0.72 | HTT (0.46) | HPGDALDH1A1SMN1; SMN2MEN1LMNA | |
| SCHEMBL29955578 | 0.72 | CES2 (0.48) | CES2CES1LCKFYNDAO | |
| SCHEMBL4711102 | 0.72 | CES2 (0.48) | CES2CES1LCKFYNDAO |
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 |
|---|---|---|---|---|---|---|---|
| US-5543520-A | ANTITUMOR AGENTS | CIBA-GEIGY CORPORATION (US) | 1996-08-06 | — | — | US | disclosed |
| EP-0672040-A1 | FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION | Novartis AG (CH) | 1995-09-20 | — | — | EP | disclosed |
| WO-1995009852-A1 | FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1995-04-13 | — | — | WO | disclosed |