Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | POLQ | O75417 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9419174 | 0.82 | SMN1; SMN2 (0.49) | ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL798178 | 0.82 | TSHR (0.49) | ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17769749 | 0.81 | TSHR (0.43) | ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL14116544 | 0.81 | SMN1; SMN2 (0.41) | ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9084110 | 0.79 | TSHR (0.42) | ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL31453537 | 0.79 | MAPT (0.43) | ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL30638957 | 0.78 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9ATSHR | |
| SCHEMBL28807356 | 0.77 | TERT (0.47) | ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4969034 | 0.76 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E | |
| SCHEMBL5045338 | 0.75 | ALDH1A1 (0.47) | ALDH1A1CYP3A4SMN1; SMN2TSHRKMT2A |
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-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |