Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.74 |
| ▸ | HTR6 | P50406 | 2/20 | 0.74 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.74 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | IL1RN | P18510 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.50 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2510834 | 0.88 | CYP19A1 (0.64) | ESR1HTR6CYP19A1LMNASMN1; SMN2 | |
| SCHEMBL16719331 | 0.88 | ESR1 (0.78) | ESR1HTR6CYP19A1LMNASMN1; SMN2 | |
| SCHEMBL4881882 | 0.86 | ESR1 (0.76) | ESR1HTR6CYP19A1LMNASMN1; SMN2 | |
| SCHEMBL517779 | 0.85 | ESR1 (0.62) | ESR1HTR6CYP19A1SMN1; SMN2ALDH1A1 | |
| SCHEMBL16719591 | 0.85 | ESR1 (0.62) | ESR1HTR6CYP19A1ALDH1A1PKM | |
| SCHEMBL3037102 | 0.82 | ESR1 (0.80) | ESR1HTR6CYP19A1MEN1KMT2A | |
| SCHEMBL7137662 | 0.78 | MEN1 (0.66) | ESR1HTR6CYP19A1MEN1KMT2A | |
| SCHEMBL18553762 | 0.78 | ESR1 (0.64) | ESR1HTR6CYP19A1LMNAALDH1A1 | |
| SCHEMBL1607103 | 0.78 | PIP4K2A (0.64) | ESR1HTR6CYP19A1HDAC3HDAC4 | |
| SCHEMBL2614387 | 0.77 | SMN1; SMN2 (1.00) | HTR6LMNASMN1; SMN2ALDH1A1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651595-A2 | UBIQUITIN LIGASE INHIBITORS | Rigel Pharmaceuticals, Inc. (US) | 2006-05-03 | — | — | EP | claimed |
| WO-2005007621-A2 | UBIQUITIN LIGASE INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2005-01-27 | — | — | WO | claimed |
| US-6723726-B1 | Protein tyrosine kinase inhibitors | SMITHKLINE BEECHAM CORPORATION | 2004-04-20 | — | — | US | disclosed |
| EP-1304110-A2 | Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors | GLAXO GROUP LIMITED (GB) | 2003-04-23 | — | — | EP | disclosed |