Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | KIF11 | P52732 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4513203 | 0.92 | MAPT (0.50) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| SCHEMBL6433749 | 0.86 | ESR1 (0.39) | CYP3A4ALDH1A1TDP1TP53KIF11 | |
| SCHEMBL27043326 | 0.80 | ALDH1A1 (0.52) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| SCHEMBL4527473 | 0.80 | ALDH1A1 (0.52) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| Benzidine SCHEMBL2466323 | 0.76 | ALDH1A1 (0.85) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| Benzidine SCHEMBL9980982 | 0.76 | ALDH1A1 (0.85) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| Benzidine SCHEMBL29120747 | 0.76 | ALDH1A1 (0.85) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| SCHEMBL272403 | 0.76 | ESR1 (0.30) | — | |
| SCHEMBL2024128 | 0.76 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| SCHEMBL258287 | 0.76 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TP53HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7507480-B2 | Corrosion-resistant metal surfaces | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2009-03-24 | — | — | US | disclosed |
| US-20060269760-A1 | Corrosion-resistant metal surfaces | ENERGY, UNITED STATES DEPARTMENT OF | 2006-11-30 | — | — | US | disclosed |