Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.50 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28033626 | 0.85 | POLB (0.47) | SMN1; SMN2NPC1TP53RAB9AALDH1A1 | |
| SCHEMBL20474750 | 0.84 | TRPA1 (0.57) | HTTSMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL20474748 | 0.84 | TRPA1 (0.57) | HTTSMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL18610495 | 0.84 | TRPA1 (0.57) | HTTSMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL10763104 | 0.84 | NPC1 (0.65) | HTTSMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL10768107 | 0.84 | NPC1 (0.65) | HTTSMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL10763115 | 0.84 | NPC1 (0.65) | HTTSMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL15663909 | 0.82 | ALDH1A1 (0.51) | SMN1; SMN2TP53ALDH1A1MAPK1MAPT | |
| SCHEMBL28408095 | 0.81 | LMNA (0.47) | SMN1; SMN2ALDH1A1MAPTPOLBCYP3A4 | |
| Dinitrophenylene SCHEMBL27967039 | 0.78 | ALDH1A1 (0.59) | HTTSMN1; SMN2NPC1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017199103-A1 | BENZAMIDE COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2017-11-23 | — | — | WO | disclosed |