Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774513 | 0.95 | TAAR1 (0.39) | TAAR1GPR84L3MBTL1TP53LMNA | |
| SCHEMBL8774829 | 0.90 | RAB9A (0.36) | GPR84TP53NPC1RAB9A | |
| SCHEMBL8774498 | 0.87 | HTR2A (0.40) | GPR84TP53LMNANPC1RAB9A | |
| SCHEMBL8774334 | 0.85 | NPC1 (0.40) | TAAR1TP53NPC1RAB9AHTT | |
| SCHEMBL8775021 | 0.85 | TAAR1 (0.39) | TAAR1GPR84L3MBTL1TP53LMNA | |
| SCHEMBL8774823 | 0.85 | HTR2A (0.46) | TP53LMNAPTGS1PTGS2HTR2A | |
| SCHEMBL8774041 | 0.84 | HTR2A (0.49) | TP53LMNAPTGS1PTGS2HTR2A | |
| SCHEMBL8774250 | 0.83 | RARB (0.44) | TP53NPC1RAB9A | |
| SCHEMBL8774796 | 0.83 | NQO1 (0.41) | GPR84TP53LMNADHFR | |
| SCHEMBL8774180 | 0.82 | TAAR1 (0.47) | TAAR1L3MBTL1NPC1RAB9AHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |