Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 3/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | PGK1 | P00558 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10201098 | 0.79 | PGK1 (0.49) | ALDH1A1NCF1NQO2GAANPC1 | |
| SCHEMBL7944240 | 0.77 | PDGFRB (0.43) | CYP1A2CYP3A4CYP2D6FYNUSP2 | |
| SCHEMBL10264228 | 0.77 | KMT2A (0.42) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL25333071 | 0.76 | NCF1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2D6NCF1 | |
| SCHEMBL29513484 | 0.76 | NCF1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2D6NCF1 | |
| SCHEMBL10201353 | 0.75 | EGFR (0.47) | ALDH1A1MAPTGAAMEN1LMNA | |
| SCHEMBL2144116 | 0.74 | S1PR4 (0.43) | ALDH1A1NQO2MAPTL3MBTL1NPC1 | |
| SCHEMBL29769759 | 0.74 | S1PR4 (0.43) | ALDH1A1NQO2MAPTL3MBTL1NPC1 | |
| SCHEMBL10201104 | 0.73 | PDE10A (0.43) | ALDH1A1FYNMAPTMEN1LMNA | |
| SCHEMBL16039738 | 0.73 | CYP1A2 (0.54) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPT |
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-6225320-B1 | TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 2001-05-01 | — | — | US | disclosed |
| EP-0989987-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2000-04-05 | — | — | EP | disclosed |
| WO-1998054187-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-12-03 | — | — | WO | disclosed |