Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | TYMP | P19971 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 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 | |
|---|---|---|---|---|
| SCHEMBL2870930 | 0.82 | GAA (0.41) | ALDH1A1CYP1A2CYP3A4NPC1SMN1; SMN2 | |
| SCHEMBL28021139 | 0.78 | IDO1 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4BTK | |
| SCHEMBL2876798 | 0.76 | NT5E (0.42) | SMN1; SMN2RXFP1IDO1FYN | |
| SCHEMBL2875478 | 0.74 | NOTUM (0.41) | CYP1A2CYP3A4NPC1RAB9A | |
| SCHEMBL16200078 | 0.73 | MAPT (0.39) | ALDH1A1CYP1A2CYP3A4SMN1; SMN2HSD17B10 | |
| SCHEMBL20837058 | 0.73 | CYP2A6 (0.41) | CYP2A6ALDH1A1CYP1A2CYP3A4BTK | |
| SCHEMBL15660759 | 0.72 | IDO1 (0.55) | CYP2A6ALDH1A1CYP1A2CYP3A4BTK | |
| SCHEMBL3464293 | 0.71 | TDP1 (0.42) | ALDH1A1CYP1A2BTKNPC1SMN1; SMN2 | |
| SCHEMBL2871119 | 0.69 | NOTUM (0.37) | RXFP1PIM1IDO1HSD17B10 | |
| SCHEMBL13683096 | 0.68 | LMNA (0.46) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 |
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-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |