Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14085314 | 0.82 | LMNA (0.39) | LMNACYP1A2CYP3A4MAOATSHR | |
| Hydrochloric Acid SCHEMBL11427552 | 0.80 | GABRR1 (0.33) | LMNATSHRALDH1A1HSD17B10MAPT | |
| SCHEMBL13249008 | 0.75 | CHRNB2 (0.30) | — | |
| SCHEMBL11440666 | 0.74 | HDAC4 (0.33) | TSHRALDH1A1HSD17B10MAPTHPGD | |
| Trifluoroacetic Acid SCHEMBL11424565 | 0.73 | NOTUM (0.30) | LMNATSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11426078 | 0.72 | OAT (0.36) | TSHRHSD17B10KMT2A | |
| SCHEMBL11427516 | 0.71 | GABRR1 (0.30) | — | |
| SCHEMBL13969442 | 0.70 | TSHR (0.42) | LMNACYP1A2CYP3A4MAOATSHR | |
| SCHEMBL3455790 | 0.70 | LMNA (0.44) | LMNACYP1A2CYP3A4MAOATSHR | |
| SCHEMBL4467924 | 0.69 | ALDH1A1 (0.41) | LMNACYP1A2CYP3A4MAOATSHR |
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-9161922-B2 | Amine oxidase inhibitors | CASE WESTERN RESERVE UNIVERSITY (US) | 2015-10-20 | — | — | US | disclosed |
| US-4187316-A | ENZYME INHIBITORS | MERRELL TORAUDE ET COMPAGNIE (FR) | 1980-02-05 | — | — | US | disclosed |