Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | HTR1B | P28222 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17844466 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2A6DAOKIF11AKR1C3 | |
| SCHEMBL4693144 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL9740137 | 0.76 | IDH1 (0.43) | — | |
| SCHEMBL2486090 | 0.76 | XDH (0.43) | CYP1A2SMN1; SMN2MAPTALDH1A1LMNA | |
| SCHEMBL207188 | 0.72 | CYP1A2 (0.46) | CYP1A2CYP2A6DAOKIF11MAPT | |
| SCHEMBL6955320 | 0.72 | HPGD (0.53) | CYP1A2AKR1C3AKR1C2SMN1; SMN2MAPT | |
| SCHEMBL347592 | 0.70 | CYP2A6 (0.80) | CYP1A2CYP2A6DAOKIF11AKR1C3 | |
| SCHEMBL29407167 | 0.70 | CYP2A6 (0.80) | CYP1A2CYP2A6DAOKIF11AKR1C3 | |
| SCHEMBL9739501 | 0.70 | CA12 (0.51) | CYP1A2SMN1; SMN2MAPTALDH1A1NPC1 | |
| SCHEMBL31271 | 0.69 | AHR (0.50) | CYP1A2CYP2A6DAOKIF11ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333339-B1 | CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS | MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) | 2001-12-25 | — | — | US | claimed |
| EP-0993458-B1 | 3-BENZYLPIPERIDINE | MERCK PATENT GMBH (DE) | 2003-04-09 | — | — | EP | disclosed |
| US-6333339-B1 | CENTRAL SYSTEM DISORDERS, SCHIZOPHRENIA AND COGNITION ACTIVATORS | MERCK PATENT GELLSCHAFT MIT BESCHRANKTER (DE) | 2001-12-25 | — | — | US | disclosed |
| EP-0998474-A1 | PIPERAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2000-05-10 | — | — | EP | disclosed |
| EP-0993458-A1 | 3-BENZYLPIPERIDINE | MERCK PATENT GmbH (DE) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999003855-A1 | PIPERAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1999-01-28 | — | — | WO | disclosed |
| WO-1998057953-A1 | 3-BENZYLPIPERIDINE | MERCK PATENT GMBH (DE) | 1998-12-23 | — | — | WO | disclosed |