Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | BCR | P11274 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5076746 | 0.84 | ALOX5 (0.40) | CYP3A4MEN1ESR1KMT2ATAAR1 | |
| SCHEMBL9294543 | 0.75 | ESR1 (0.46) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 | |
| SCHEMBL27590721 | 0.73 | ALDH1A1 (0.47) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 | |
| SCHEMBL27899110 | 0.68 | MEN1 (0.33) | MEN1KMT2AAPP | |
| SCHEMBL215268 | 0.67 | CYP1A2 (0.38) | CYP3A4 | |
| SCHEMBL28078611 | 0.67 | METAP2 (0.39) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 | |
| SCHEMBL16332381 | 0.67 | MAOA (0.58) | CYP3A4MEN1KMT2ATAAR1CA12 | |
| SCHEMBL5921760 | 0.66 | GAA (0.35) | — | |
| SCHEMBL157900 | 0.66 | — | — | |
| SCHEMBL28330225 | 0.65 | CYP1A2 (0.36) | CYP3A4 |
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-6774078-B1 | COMPLEX INCORPORATES A GROUP 3-10 TRANSITION METAL AND AN ANNULATED CYCLOPENTADIENYL LIGAND THAT IS PI-BONDED TO THE METAL | EQUISTAR CHEMICALS, LP | 2004-08-10 | — | — | US | claimed |
| US-6774078-B1 | COMPLEX INCORPORATES A GROUP 3-10 TRANSITION METAL AND AN ANNULATED CYCLOPENTADIENYL LIGAND THAT IS PI-BONDED TO THE METAL | EQUISTAR CHEMICALS, LP | 2004-08-10 | — | — | US | disclosed |