Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8747021 | 0.73 | SLC6A3 (0.47) | KMT2ATSHRALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL9326126 | 0.72 | SIGMAR1 (0.55) | SIGMAR1CA1CA2CA7CA9 | |
| SCHEMBL11919523 | 0.72 | SIGMAR1 (0.44) | SIGMAR1CA1CA2CA7CA9 | |
| SCHEMBL19291033 | 0.71 | SIGMAR1 (0.53) | SIGMAR1CA1CA2CA7CA9 | |
| SCHEMBL10389477 | 0.70 | SIGMAR1 (0.49) | SIGMAR1CA1CA2CA7CA9 | |
| SCHEMBL28302026 | 0.70 | SIGMAR1 (0.49) | SIGMAR1CA1CA2CA7CA9 | |
| SCHEMBL3242340 | 0.70 | SIGMAR1 (0.66) | SIGMAR1CA1CA2CA7CA9 | |
| SCHEMBL4555611 | 0.70 | HDAC4 (0.45) | KMT2AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL9650053 | 0.70 | SIGMAR1 (0.60) | SIGMAR1CA1CA2CA7CA9 | |
| SCHEMBL2046175 | 0.69 | SIGMAR1 (0.51) | SIGMAR1CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| EP-0618900-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. | BOOTS CO PLC (GB) | 1994-10-12 | — | — | EP | disclosed |