Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 3/20 | 0.32 |
| ▸ | FPR1 | P21462 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL7555138 | 0.75 | CYP3A4 (0.44) | CYP19A1USP2TSHRCYP2C9CYP1A2 | |
| SCHEMBL3518402 | 0.68 | OPRD1 (0.38) | USP2TSHRCYP2C9CYP1A2SMN1; SMN2 | |
| SCHEMBL7850296 | 0.65 | HRH3 (0.40) | CYP19A1 | |
| SCHEMBL3517536 | 0.65 | PIN1 (0.41) | CYP19A1 | |
| SCHEMBL7134263 | 0.64 | HRH3 (0.46) | CYP19A1USP2 | |
| SCHEMBL7743502 | 0.64 | MAPT (0.43) | CYP19A1KMT2AALDH1A1 | |
| SCHEMBL3845496 | 0.64 | FNTA (0.53) | CYP19A1CYP3A4ALDH1A1 | |
| SCHEMBL5552211 | 0.64 | HRH3 (0.41) | CYP19A1 | |
| Hydrochloric Acid SCHEMBL7484921 | 0.64 | HRH3 (0.45) | CYP19A1USP2 | |
| Hydrochloric Acid SCHEMBL7528885 | 0.63 | FNTA (0.53) | CYP19A1CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000059930-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | claimed |
| WO-2001022963-A1 | METHOD OF PREVENTING OSTEOPOROSIS | MERCK & CO., INC. (US) | 2001-04-05 | — | — | WO | disclosed |