Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 10/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11655603 | 0.94 | KIF11 (0.47) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL118809 | 0.88 | TSHR (0.48) | KIF11TSHRACHELMNAALOX12 | |
| SCHEMBL2484318 | 0.88 | TSHR (0.48) | KIF11TSHRACHELMNAALOX12 | |
| Chlorotriphenylmethane SCHEMBL29248291 | 0.85 | TSHR (0.58) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13957446 | 0.85 | KIF11 (0.41) | KIF11TSHRNPSR1SMN1; SMN2MEN1 | |
| SCHEMBL11522521 | 0.84 | CYP1A2 (0.37) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11874464 | 0.79 | TSHR (0.52) | KIF11TSHRPTPN5 | |
| SCHEMBL11588689 | 0.78 | TSHR (0.55) | TSHRACHELMNAALOX12 | |
| SCHEMBL11527250 | 0.78 | TSHR (0.55) | TSHRACHELMNAALOX12 | |
| SCHEMBL11870534 | 0.78 | KIF11 (0.47) | KIF11CYP3A4CYP2D6CYP2C9CYP2C19 |
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-8003783-B2 | Steroid 17 beta -hydroxysteroid dehydrogenase inhibitors substituted with one or more oxime groups, especially aromatase inhibitors used in the treatment of endocrine-dependent tumors, especially breast cancer | STERIX LIMITED (GB) | 2011-08-23 | — | — | US | disclosed |