Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.74 |
| ▸ | MAOB | P27338 | 5/20 | 0.70 |
| ▸ | MAOA | P21397 | 4/20 | 0.70 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11127464 | 0.92 | CYP19A1 (0.63) | CYP19A1MAOBMAOATAAR1LOXL2 | |
| SCHEMBL3482674 | 0.89 | CYP19A1 (0.91) | CYP19A1MAOBMAOASIGMAR1GFER | |
| SCHEMBL29436994 | 0.85 | MAOB (0.86) | CYP19A1MAOBMAOASIGMAR1GFER | |
| SCHEMBL2154372 | 0.85 | MAOB (0.86) | CYP19A1MAOBMAOASIGMAR1GFER | |
| SCHEMBL4302379 | 0.83 | MAOB (1.00) | CYP19A1MAOBMAOATAAR1LOXL2 | |
| SCHEMBL21153746 | 0.81 | CYP1A2 (0.58) | CYP19A1MAOBMAOAMAPTCYP3A4 | |
| SCHEMBL20752028 | 0.80 | LOXL2 (0.64) | CYP19A1MAOBMAOATAAR1LOXL2 | |
| SCHEMBL3368902 | 0.80 | TAAR1 (0.68) | CYP19A1MAOBMAOATAAR1GFER | |
| SCHEMBL28871418 | 0.80 | CYP19A1 (0.74) | CYP19A1MAOBMAOASIGMAR1GFER | |
| SCHEMBL3364178 | 0.78 | GFER (0.74) | CYP19A1MAOBMAOATAAR1LOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018165520-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VPS-3, INC. (US) | 2018-09-13 | — | — | WO | disclosed |