Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GLS | O94925 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12105119 | 0.79 | DAO (0.39) | FDPSCA12CA1CA2CA9 | |
| SCHEMBL11290483 | 0.78 | FDPS (0.44) | FDPSCA12CA1CA2CA9 | |
| SCHEMBL22792247 | 0.76 | BRD4 (0.38) | FDPSCA12CA1CA2CA9 | |
| SCHEMBL19978777 | 0.74 | FDPS (0.37) | FDPSCA12CA1CA2CA9 | |
| SCHEMBL18856895 | 0.71 | MMP2 (0.48) | CA12CA1CA2CA9RIPK1 | |
| SCHEMBL27147600 | 0.71 | LMNA (0.39) | FDPSCA12CA1CA2CA9 | |
| SCHEMBL18844642 | 0.71 | FDPS (0.39) | FDPSCA12CA1CA2CA9 | |
| SCHEMBL24671995 | 0.71 | TP53 (0.43) | FDPSCA12CA1CA2CA9 | |
| SCHEMBL10680 | 0.71 | — | — | |
| SCHEMBL6071486 | 0.70 | CYP19A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107635557-A | Dual NK-1/NK-3 receptor antagonists for the treatment of sex hormone dependent diseases | 尼尔医疗有限公司 | 2018-01-26 | — | — | CN | claimed |