Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 9/20 | 0.33 |
| ▸ | KDM1A | O60341 | 7/20 | 0.33 |
| ▸ | MAOA | P21397 | 7/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20446429 | 0.81 | SMYD2 (0.35) | CYP3A4HTTSMN1; SMN2SMYD2MAOB | |
| SCHEMBL2912500 | 0.79 | OPRL1 (0.38) | CYP3A4HTTSMN1; SMN2SMYD2MAOB | |
| SCHEMBL25568304 | 0.79 | CYP3A4 (0.42) | CYP3A4HTTSMN1; SMN2SMYD2MAOB | |
| SCHEMBL25568302 | 0.79 | CYP3A4 (0.42) | CYP3A4HTTSMN1; SMN2SMYD2MAOB | |
| SCHEMBL29583645 | 0.79 | SMYD2 (0.36) | CYP3A4HTTSMN1; SMN2SMYD2 | |
| SCHEMBL20570255 | 0.79 | SMYD2 (0.41) | CYP3A4HTTSMN1; SMN2SMYD2MAOB | |
| SCHEMBL2144556 | 0.78 | OPRL1 (0.36) | CYP3A4HTTSMN1; SMN2SMYD2TACR1 | |
| SCHEMBL2144555 | 0.78 | OPRL1 (0.36) | CYP3A4HTTSMN1; SMN2SMYD2TACR1 | |
| SCHEMBL2144559 | 0.78 | OPRL1 (0.36) | CYP3A4HTTSMN1; SMN2SMYD2TACR1 | |
| SCHEMBL4127698 | 0.78 | SMYD2 (0.35) | CYP3A4HTTSMN1; SMN2SMYD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5246931-A | Triazine-substituted cyclobutane derivatives; viricides; side effect reduction | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-09-21 | — | — | US | disclosed |
| US-5153352-A | Viricides and antitumor agent | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0366059-A2 | Carbocyclic nucleoside analogs | BRISTOL-MYERS SQUIBB COMPANY (US) | 1990-05-02 | — | — | EP | disclosed |