Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | SCN1A | P35498 | 3/20 | 0.51 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL31112405 | 0.86 | GAA (0.47) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL1614867 | 0.84 | CYP2C19 (0.54) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL9719362 | 0.82 | OPRM1 (0.42) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL24683697 | 0.82 | OPRM1 (0.54) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| Hydrochloric Acid SCHEMBL2861649 | 0.82 | CYP2C19 (0.55) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL18994329 | 0.82 | OPRM1 (0.69) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL9295790 | 0.81 | CHRM3 (0.59) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| Methane SCHEMBL5604947 | 0.81 | OPRM1 (0.67) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL2395807 | 0.81 | OPRM1 (0.41) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL4006883 | 0.81 | TSHR (0.42) | CYP2C19LMNASCN1ASCN2ASCN3A |
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-7414062-B2 | Triazaspiro compounds useful for treating or preventing pain | PURDUE PHARMA L.P. (US) | 2008-08-19 | — | — | US | disclosed |