Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.35 |
| ▸ | TUBB | P07437 | 2/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.35 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.35 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.35 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6024004 | 1.00 | CYP2A6 (0.45) | CYP2A6RAB9AERN1GSK3BTUBB4A | |
| SCHEMBL3460006 | 0.79 | CYP2A6 (0.51) | CYP2A6ERN1GSK3BTUBB4ATUBB | |
| SCHEMBL29611325 | 0.79 | CYP2A6 (0.51) | CYP2A6ERN1GSK3BTUBB4ATUBB | |
| SCHEMBL3460005 | 0.79 | CYP2A6 (0.51) | CYP2A6ERN1GSK3BTUBB4ATUBB | |
| SCHEMBL9603129 | 0.79 | CYP2A6 (0.51) | CYP2A6ERN1GSK3BTUBB4ATUBB | |
| SCHEMBL6024467 | 0.74 | MAOA (0.41) | — | |
| SCHEMBL6024464 | 0.74 | MAOA (0.41) | — | |
| SCHEMBL9325628 | 0.73 | MAPT (0.40) | RAB9A | |
| SCHEMBL9325623 | 0.73 | MAPT (0.40) | RAB9A | |
| SCHEMBL21470169 | 0.73 | CYP2A6 (0.58) | CYP2A6GSK3BTUBB4ATUBBTUBA3C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0957080-B1 | NOVEL ETHYLAMINE DERIVATIVES | FUJIMOTO BROTHERS CO LTD (JP) | 2006-06-21 | — | — | EP | disclosed |
| US-6214859-B1 | PSYCHOLOGICAL DISORDERS; ALZHEIMER'S DISORDERS; PARKINSON'SDISORDERS | FUJIMOTO BROTHERS CO., LTD. (JP) | 2001-04-10 | — | — | US | disclosed |
| EP-0957080-A1 | NOVEL ETHYLAMINE DERIVATIVES | Fujimoto Brothers Co., Ltd. (JP) | 1999-11-17 | — | — | EP | disclosed |