Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SAT1 | P21673 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19749144 | 1.00 | CYP2C19 (0.55) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL13893418 | 1.00 | CYP2C19 (0.55) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL12319690 | 0.93 | CYP2C19 (0.67) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL9010938 | 0.92 | CYP2C19 (0.60) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL10045259 | 0.90 | CYP2C19 (0.65) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL25569446 | 0.88 | CYP2C19 (0.62) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL25566471 | 0.84 | TSHR (0.45) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL2479475 | 0.84 | HRH4 (0.45) | HRH4HRH3ALDH1A1EPHX1 | |
| SCHEMBL841330 | 0.84 | HRH4 (0.45) | HRH4HRH3ALDH1A1EPHX1 | |
| SCHEMBL4789143 | 0.84 | HRH4 (0.45) | HRH4HRH3ALDH1A1EPHX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9850183-B2 | Conjugates derived from non-steroidal anti-inflammatory drugs and methods of use thereof in imaging | Reiley Pharmaceuticals, Inc. (US) | 2017-12-26 | — | — | US | disclosed |
| US-9750737-B2 | METAP2 inhibitors and methods of treating obesity | SYNDEVRX, INC. (US) | 2017-09-05 | — | — | US | disclosed |