Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 16/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL13465305 | 0.81 | CYP19A1 (0.60) | CYP19A1CYP2D6 | |
| SCHEMBL171234 | 0.58 | HRH3 (0.53) | CYP19A1CYP3A4CYP2D6 | |
| SCHEMBL1004267 | 0.57 | LOXL2 (0.64) | CYP19A1MMP13 | |
| SCHEMBL9127449 | 0.56 | MAOB (0.60) | CYP19A1SMN1; SMN2CYP3A4GAARAB9A | |
| Isonicotinonitrile SCHEMBL12264099 | 0.55 | — | — | |
| Isonicotinonitrile SCHEMBL2015834 | 0.55 | HDAC8 (0.52) | CYP19A1GAA | |
| Isonicotinonitrile SCHEMBL151611 | 0.55 | — | — | |
| Isonicotinonitrile SCHEMBL28123141 | 0.55 | ADRB2 (0.43) | — | |
| SCHEMBL8390135 | 0.55 | LOXL2 (0.54) | CYP19A1MMP13 | |
| SCHEMBL508063 | 0.55 | LOXL2 (0.54) | CYP19A1MMP13 |
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-10381110-B2 | Molecules | UNIVERSITY OF DUNDEE (GB) | 2019-08-13 | — | — | US | disclosed |
| US-20160196412-A1 | DESIGN OF MOLECULES | RECURSION PHARMACEUTICALS, INC. | 2016-07-07 | — | — | US | disclosed |
| US-20160196412-A1 | DESIGN OF MOLECULES | RECURSION PHARMACEUTICALS, INC. | 2016-07-07 | — | — | US | disclosed |