Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TXNRD1 | Q16881 | 3/20 | 0.51 |
| ▸ | GSR | P00390 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8559976 | 0.81 | AR (0.44) | ALDH1A1CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL8560152 | 0.80 | CYP19A1 (0.60) | ALDH1A1SMN1; SMN2CA12CYP19A1LMNA | |
| SCHEMBL8598731 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TXNRD1RAB9AKMT2AMEN1 | |
| SCHEMBL8562255 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL14618673 | 0.74 | HTT (0.51) | ALDH1A1CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL8568601 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL8566587 | 0.73 | CA12 (0.51) | KMT2AMEN1CA12CA1CA2 | |
| SCHEMBL8562782 | 0.73 | KMT2A (0.43) | ALDH1A1CYP2C9CYP1A2HPGDRAB9A | |
| SCHEMBL5700184 | 0.73 | KMT2A (0.43) | ALDH1A1TXNRD1RAB9AKMT2AMEN1 | |
| SCHEMBL8600265 | 0.73 | TXNRD1 (0.51) | ALDH1A1TXNRD1GSRKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0735025-B1 | Process for producing aminonitropyridines | SUMITOMO CHEMICAL CO (JP) | 1998-07-01 | — | — | EP | disclosed |
| US-5648496-A | AMINATION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-07-15 | — | — | US | disclosed |
| EP-0735025-A1 | Process for producing aminonitropyridines | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1996-10-02 | — | — | EP | disclosed |