Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2829854 | 0.87 | SMN1; SMN2 (0.44) | KMT2ANPC1RAB9ALMNAKDM4E | |
| SCHEMBL2830000 | 0.87 | NPC1 (0.47) | KMT2AMEN1NPC1RAB9AHPGD | |
| SCHEMBL2827687 | 0.86 | MEN1 (0.49) | KMT2AMEN1NPC1RAB9AHPGD | |
| SCHEMBL2828100 | 0.85 | NPC1 (0.46) | KMT2AMEN1NPC1RAB9AHPGD | |
| SCHEMBL2825247 | 0.83 | NPC1 (0.44) | KMT2AMEN1NPC1RAB9ALMNA | |
| SCHEMBL2828853 | 0.82 | KMT2A (0.43) | KMT2AMEN1NPC1RAB9AKDM4E | |
| SCHEMBL2826737 | 0.82 | RAB9A (0.56) | KMT2AMEN1NPC1RAB9ATP53 | |
| SCHEMBL2828482 | 0.81 | NPC1 (0.50) | KMT2AMEN1NPC1RAB9ATP53 | |
| SCHEMBL2830058 | 0.81 | LMNA (0.50) | KMT2AMEN1NPC1RAB9AHPGD | |
| SCHEMBL2827177 | 0.78 | ALDH1A1 (0.46) | KMT2AMEN1LMNACYP1A2CYP2C19 |
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-1844044-B1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-21 | — | — | EP | claimed |