Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 4/20 | 0.83 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.78 |
| ▸ | KRAS | P01116 | 6/20 | 0.76 |
| ▸ | CA1 | P00915 | 3/20 | 0.76 |
| ▸ | CA2 | P00918 | 3/20 | 0.76 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.75 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.74 |
| ▸ | ATM | Q13315 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.74 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.74 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL11796150 | 1.00 | ABCB1 (0.83) | ABCB1TNFRSF1AKRASCA1CA2 | |
| SCHEMBL12484514 | 0.88 | TNFRSF1A (1.00) | ABCB1TNFRSF1AKRASABCG2 | |
| SCHEMBL12484518 | 0.88 | TNFRSF1A (1.00) | ABCB1TNFRSF1AKRASABCG2 | |
| SCHEMBL14820484 | 0.87 | ABCG2 (0.84) | ABCB1TNFRSF1AKRASCA1CA2 | |
| SCHEMBL14800858 | 0.87 | ABCG2 (0.84) | ABCB1TNFRSF1AKRASCA1CA2 | |
| SCHEMBL5653179 | 0.87 | KRAS (0.79) | ABCB1KRASCA1CA2ABCG2 | |
| SCHEMBL13018515 | 0.87 | CA1 (1.00) | ABCB1TNFRSF1AKRASCA1CA2 | |
| SCHEMBL5653173 | 0.87 | KRAS (0.79) | ABCB1KRASCA1CA2ABCG2 | |
| SCHEMBL615818 | 0.87 | KRAS (1.00) | ABCB1TNFRSF1AKRASCA1CA2 | |
| SCHEMBL13018517 | 0.87 | KRAS (1.00) | ABCB1TNFRSF1AKRASCA1CA2 |
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-3989708-A | HYPOTENSIVE, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-02 | — | — | US | disclosed |