Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Risotilide SCHEMBL123045 | 0.84 | TRPV4 (0.49) | CYP2C9ALDH1A1TSHRRORCCA12 | |
| SCHEMBL9835822 | 0.83 | CYP2C9 (0.46) | CYP2C9ALDH1A1TSHRRORCCA12 | |
| Risotilide SCHEMBL635829 | 0.83 | LMNA (0.49) | CYP2C9ALDH1A1TSHRRORCCA12 | |
| SCHEMBL9834718 | 0.81 | RORC (0.46) | CYP2C9ALDH1A1TSHRRORCCA12 | |
| SCHEMBL9662293 | 0.73 | ALDH1A1 (0.57) | CYP2C9ALDH1A1TSHRRORCCA12 | |
| SCHEMBL4445364 | 0.71 | KDM4E (0.58) | CYP2C9ALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL10777217 | 0.70 | TRPV4 (0.51) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL10692230 | 0.67 | ALDH1A1 (0.65) | CYP2C9ALDH1A1TSHRCA12CA1 | |
| SCHEMBL10778006 | 0.66 | HTT (0.62) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL10693476 | 0.66 | CA2 (0.49) | ALDH1A1CA1CA2SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5679706-A | ANTIISCHEMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-10-21 | — | — | US | claimed |
| US-5679706-A | ANTIISCHEMIC AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-10-21 | — | — | US | disclosed |