Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.69 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.69 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | SCD | O00767 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | BCR | P11274 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8055781 | 0.86 | ALDH1A1 (0.77) | CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL10686317 | 0.86 | CYP19A1 (0.66) | CYP19A1CYP11B1CYP11B2ALDH1A1NPC1 | |
| SCHEMBL5749918 | 0.86 | CYP1A2 (0.63) | CYP19A1CYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL10692987 | 0.83 | CYP19A1 (0.62) | CYP19A1CYP11B1CYP11B2ALDH1A1NPC1 | |
| SCHEMBL10692983 | 0.83 | CYP19A1 (0.62) | CYP19A1CYP11B1CYP11B2ALDH1A1NPC1 | |
| SCHEMBL4509922 | 0.82 | CYP11B2 (1.00) | CYP19A1CYP11B1CYP11B2ALDH1A1ALOX15 | |
| Methyl Nicotinate SCHEMBL820747 | 0.81 | ALDH1A1 (1.00) | CYP19A1CYP11B1CYP11B2ALDH1A1KMT2A | |
| Methyl Nicotinate SCHEMBL29386553 | 0.81 | ALDH1A1 (1.00) | CYP19A1CYP11B1CYP11B2ALDH1A1KMT2A | |
| Methyl Nicotinate SCHEMBL24566 | 0.81 | ALDH1A1 (1.00) | CYP19A1CYP11B1CYP11B2ALDH1A1KMT2A | |
| SCHEMBL1519827 | 0.80 | CYP11B1 (0.65) | CYP19A1CYP11B1CYP11B2ALDH1A1ALOX15 |
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-4734406-A | 3-pyridylmethylnaphthyl derivatives and composition containing them useful to inhibit thromboxane synthetase | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-03-29 | — | — | US | disclosed |