Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31195785 | 0.93 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| SCHEMBL188682 | 0.93 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| SCHEMBL15940331 | 0.90 | CYP1A2 (0.50) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| SCHEMBL27846190 | 0.90 | ESR1 (0.46) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| SCHEMBL30562860 | 0.90 | CA1 (0.44) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| SCHEMBL455943 | 0.88 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| SCHEMBL29418178 | 0.88 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| SCHEMBL24432375 | 0.88 | IKBKB (0.46) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL31439257 | 0.86 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRCYP3A4HPGD | |
| SCHEMBL31633515 | 0.86 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRCYP3A4HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4426475-A | DIPHENYLAMINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-01-17 | — | — | US | disclosed |