Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18236746 | 0.84 | SIGMAR1 (0.37) | ALDH1A1CYP2C19CYP1A2HRH3LMNA | |
| SCHEMBL736789 | 0.78 | — | — | |
| SCHEMBL17843167 | 0.77 | HTR2A (0.38) | CYP2C19CYP1A2HTR2AHRH3KMT2A | |
| SCHEMBL20079218 | 0.77 | ALDH1A1 (0.35) | ALDH1A1CYP2C19CYP1A2HRH3LMNA | |
| SCHEMBL18233550 | 0.77 | ALDH1A1 (0.64) | ALDH1A1CYP2C19CYP1A2HRH3KMT2A | |
| SCHEMBL12606599 | 0.76 | HRH3 (0.57) | ALDH1A1HRH3KMT2AMEN1LMNA | |
| SCHEMBL13100181 | 0.76 | POLB (0.35) | ALDH1A1 | |
| SCHEMBL22924121 | 0.76 | HRH3 (0.36) | ALDH1A1CYP2C19CYP1A2HRH3LMNA | |
| Ammonia Solution, Strong SCHEMBL19437631 | 0.75 | KDM4E (0.37) | ALDH1A1LMNAMAPT | |
| SCHEMBL746674 | 0.75 | CYP1A2 (0.67) | ALDH1A1CYP2C19CYP1A2HRH3LMNA |
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-3294732-B1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | GILEAD SCIENCES INC (US) | 2019-09-25 | — | — | EP | disclosed |