Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | CASP6 | P55212 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | NCF1 | P14598 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23124284 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CASP6GFERNCF1KDM4E | |
| SCHEMBL12890006 | 0.87 | ADRA2C (0.61) | ALDH1A1CASP6GFERNCF1KDM4E | |
| SCHEMBL3312656 | 0.86 | ALDH1A1 (0.72) | ALDH1A1CASP6GFERNCF1KDM4E | |
| SCHEMBL10377137 | 0.84 | ALDH1A1 (0.57) | ALDH1A1CASP6GFERNCF1KDM4E | |
| SCHEMBL29795506 | 0.83 | TSHR (0.53) | ALDH1A1NPSR1USP2MEN1KMT2A | |
| SCHEMBL23123793 | 0.83 | TSHR (0.53) | ALDH1A1NPSR1USP2MEN1KMT2A | |
| SCHEMBL17738756 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CASP6GFERNCF1KDM4E | |
| SCHEMBL17739013 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CASP6GFERNCF1KDM4E | |
| SCHEMBL31152780 | 0.81 | SMARCA2 (0.55) | ALDH1A1SMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL1249642 | 0.81 | SMARCA2 (0.55) | ALDH1A1SMN1; SMN2MEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-4031532-A1 | SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Bial-R&D Investments, S.A. (PT) | 2022-07-27 | — | — | EP | disclosed |