Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.57 |
| ▸ | APP | P05067 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| Thiophene SCHEMBL8657478 | 0.85 | CYP2E1 (0.41) | ALDH1A1CYP3A4TDP1TP53TAAR1 | |
| Aniline SCHEMBL28178895 | 0.80 | TSHR (0.65) | ALDH1A1CYP3A4TDP1TAAR1HSD17B10 | |
| Aniline SCHEMBL5368038 | 0.80 | TSHR (0.65) | ALDH1A1CYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL28396473 | 0.80 | TSHR (0.56) | ALDH1A1CYP3A4TDP1TP53TAAR1 | |
| Benzidine SCHEMBL27593681 | 0.78 | CYP3A4 (0.87) | ALDH1A1CYP3A4TDP1TP53TAAR1 | |
| Benzidine SCHEMBL29021 | 0.78 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TP53TAAR1 | |
| Benzidine SCHEMBL720393 | 0.78 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TP53TAAR1 | |
| SCHEMBL28842081 | 0.78 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TP53TAAR1 | |
| SCHEMBL2024128 | 0.78 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TP53TAAR1 | |
| SCHEMBL258287 | 0.78 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TP53TAAR1 |
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-4999263-A | Polyaniline active material electrochemically polymerized in the presence of sulfuric acid | RICOH COMPANY, LTD. (JP) | 1991-03-12 | — | — | US | disclosed |