Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7146561 | 0.89 | HTT (0.50) | HTTCYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL13929424 | 0.88 | TSHR (0.51) | HTTCYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL27763891 | 0.88 | TSHR (0.51) | HTTCYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL1274264 | 0.88 | TSHR (0.51) | HTTCYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL7334591 | 0.88 | CTSS (0.44) | HTTTSHRCTSSCTSKMIF | |
| SCHEMBL13118106 | 0.88 | CTSS (0.44) | HTTTSHRCTSSCTSKMIF | |
| SCHEMBL7227254 | 0.88 | CTSS (0.44) | HTTTSHRCTSSCTSKMIF | |
| Hydrochloric Acid SCHEMBL1824577 | 0.87 | CTSS (0.44) | HTTTSHRCTSSCTSKMIF | |
| SCHEMBL18640816 | 0.86 | TSHR (0.45) | HTTCYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL2359792 | 0.85 | HTT (0.41) | HTTCYP1A2CYP2C9CYP2C19TSHR |
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-6455529-B1 | OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2002-09-24 | — | — | US | disclosed |