Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19476144 | 0.79 | MMP13 (0.60) | CYP1A2CYP2C19NPC1RAB9AALDH1A1 | |
| SCHEMBL4174785 | 0.77 | SMN1; SMN2 (0.59) | POLBLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL29066497 | 0.75 | CYP1A2 (0.48) | MAPK10CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL31703831 | 0.74 | HDAC3 (0.42) | CYP1A2CYP3A4CYP2C19TSHRGRM1 | |
| SCHEMBL29367205 | 0.73 | HTT (0.69) | TSHRPOLBLMNANPC1RAB9A | |
| SCHEMBL3337029 | 0.73 | KDM4E (0.50) | TSHRPOLBGRM4HDAC3HDAC1 | |
| SCHEMBL28226304 | 0.73 | MAP3K5 (0.52) | GRM1GRM4HDAC3HDAC1LMNA | |
| SCHEMBL29066486 | 0.72 | NPC1 (0.53) | MAPK10CYP1A2CYP3A4CYP2C19POLB | |
| SCHEMBL29505784 | 0.72 | SLC40A1 (0.48) | — | |
| SCHEMBL29066483 | 0.72 | NPC1 (0.53) | MAPK10CYP1A2CYP3A4CYP2C19POLB |
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-2010114726-A1 | AMINOBENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |