Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 6/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8540073 | 0.84 | MBOAT4 (0.37) | MBOAT4CYP19A1GRIN1GRIN2BSRD5A2 | |
| SCHEMBL8536969 | 0.80 | CYP19A1 (0.34) | MBOAT4CYP19A1TSHRGRIN1GRIN2B | |
| SCHEMBL8823383 | 0.78 | MBOAT4 (0.48) | MBOAT4CYP19A1GRIN1GRIN2BSRD5A2 | |
| SCHEMBL5109022 | 0.74 | MBOAT4 (0.51) | MBOAT4CYP19A1GRIN1GRIN2BSRD5A2 | |
| SCHEMBL8016925 | 0.72 | MBOAT4 (0.43) | MBOAT4CYP19A1SRD5A2SRD5A1 | |
| SCHEMBL9618180 | 0.72 | SRD5A1 (0.44) | MBOAT4GRIN1GRIN2BSRD5A2SRD5A1 | |
| SCHEMBL9543229 | 0.70 | MBOAT4 (0.41) | MBOAT4CYP19A1SRD5A2SRD5A1 | |
| SCHEMBL7643438 | 0.70 | MBOAT4 (0.47) | MBOAT4CYP19A1GRIN1GRIN2BSRD5A2 | |
| SCHEMBL9776615 | 0.69 | SRD5A1 (0.41) | MBOAT4SRD5A2SRD5A1 | |
| SCHEMBL9708876 | 0.69 | SRD5A1 (0.42) | MBOAT4SRD5A2SRD5A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5760045-A | BENIGN PROSTATIC HYPERPLASIA | MERCK & CO., INC. (US) | 1998-06-02 | — | — | US | disclosed |
| US-5710275-A | ENZYME AND HORMONE INHIBITORS | MERCK & CO., INC. (US) | 1998-01-20 | — | — | US | disclosed |
| US-5693809-A | PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |
| US-5510351-A | PREGNANE ENZYME INHIBITOR FOR TREATING SKIN DISORDER, BALDNESS, PROSTATIC CANCER | MERCK & CO., INC. (US) | 1996-04-23 | — | — | US | disclosed |