Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21905015 | 0.92 | CYP3A4 (0.38) | CYP3A4CYP2D6NPC1RAB9ACYP1A2 | |
| SCHEMBL11920351 | 0.88 | MTNR1A (0.36) | NPC1RAB9AMTNR1AMTNR1BPOLB | |
| SCHEMBL21163118 | 0.87 | MTNR1A (0.34) | CYP3A4CYP2D6NPC1RAB9ARECQL | |
| SCHEMBL22475346 | 0.84 | NPC1 (0.33) | NPC1RAB9AMTNR1AMTNR1BPOLB | |
| SCHEMBL22417568 | 0.82 | MTNR1A (0.32) | CYP3A4CYP2D6MTNR1AMTNR1B | |
| SCHEMBL22417644 | 0.82 | MTNR1A (0.31) | CYP3A4CYP2D6MTNR1AMTNR1B | |
| SCHEMBL17148452 | 0.80 | — | — | |
| SCHEMBL11920353 | 0.80 | AR (0.41) | CYP2D6MEN1KMT2AMTNR1AMTNR1B | |
| SCHEMBL21907146 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL22475351 | 0.79 | AR (0.39) | CYP2D6CYP2C9MEN1KMT2AMTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2965742-B1 | DENTAL COMPOSITIONS COMPRISING ETHYLENICALLY UNSATURATED ADDITION-FRAGMENTATION AGENT | 3M INNOVATIVE PROPERTIES CO (US) | 2020-09-09 | — | — | EP | disclosed |