Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL8590170 | 0.90 | KMT2A (0.45) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9645410 | 0.79 | MEN1 (0.43) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9645470 | 0.79 | POLB (0.42) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1002469 | 0.75 | CYP1A2 (0.64) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10417057 | 0.74 | SMN1; SMN2 (0.45) | HPGDCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10417047 | 0.74 | NAAA (0.49) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| Water SCHEMBL27387795 | 0.73 | CYP1A2 (0.62) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11280055 | 0.72 | KMT2A (0.37) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5674146 | 0.72 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11576464 | 0.71 | NPC1 (0.51) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 |
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-5086052-A | Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis | ABBOTT LABORATORIES (US) | 1992-02-04 | — | — | US | disclosed |
| US-4970210-A | ENZYME INHIBITORS | ABBOTT LABORATORIES (US) | 1990-11-13 | — | — | US | disclosed |
| EP-0299449-A2 | Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds | ABBOTT LABORATORIES (US) | 1989-01-18 | — | — | EP | disclosed |