Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30154737 | 0.86 | GABRA1 (0.41) | CYP3A4GABRA1TSHRGABRG2GABRB3 | |
| SCHEMBL26127801 | 0.86 | GABRA1 (0.41) | CYP3A4GABRA1TSHRGABRG2GABRB3 | |
| SCHEMBL59823 | 0.73 | GABRA1 (0.50) | CYP3A4GABRA1TSHRGABRG2GABRB3 | |
| SCHEMBL29407112 | 0.72 | CYP3A4 (0.48) | CYP3A4GABRA1TSHRGABRG2GABRB3 | |
| SCHEMBL104522 | 0.72 | CYP3A4 (0.48) | CYP3A4GABRA1TSHRGABRG2GABRB3 | |
| SCHEMBL25105501 | 0.71 | CYP3A4 (0.37) | CYP3A4TSHRHPGDPIK3CACD44 | |
| SCHEMBL104513 | 0.71 | GABRA1 (0.50) | CYP3A4GABRA1TSHRGABRG2GABRB3 | |
| SCHEMBL30223644 | 0.71 | GABRA1 (0.50) | CYP3A4GABRA1TSHRGABRG2GABRB3 | |
| SCHEMBL22607091 | 0.71 | GABRA1 (0.38) | GABRA1GABRB2HIF1APOLBALDH1A1 | |
| SCHEMBL141144 | 0.70 | CYP3A4 (0.46) | CYP3A4GABRA1TSHRGABRG2GABRB3 |
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-2020047208-A1 | INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN | MORPHIC THERAPEUTIC, INC. (US) | 2020-03-05 | — | — | WO | disclosed |