Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5178739 | 0.78 | CA1 (0.41) | TDP1MAPK1ALDH1A1TSHR | |
| SCHEMBL11649729 | 0.78 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL289518 | 0.78 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL16344044 | 0.78 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL301240 | 0.78 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL2313918 | 0.78 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL16055414 | 0.76 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL10412404 | 0.76 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| Hydrochloric Acid SCHEMBL28963440 | 0.76 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2MAPK1 | |
| SCHEMBL9661777 | 0.76 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2MAPK1 |
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-5049693-A | Process for the selective hydrogenation of olefins containing nitrile groups | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-17 | — | — | US | disclosed |