Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 6/20 | 0.52 |
| ▸ | FYN | P06241 | 5/20 | 0.50 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.50 |
| ▸ | DYRK3 | O43781 | 5/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.44 |
| ▸ | CDK9 | P50750 | 5/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.44 |
| ▸ | DYRK2 | Q92630 | 5/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.43 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL14545539 | 0.92 | CRHR1 (0.57) | CNR1FYNCRHR1 | |
| SCHEMBL14544920 | 0.85 | CRHR1 (0.48) | CNR1FYNCRHR1HPGDMEN1 | |
| SCHEMBL14544910 | 0.74 | MEN1 (0.43) | CNR1CRHR1KDM4ENPC1HPGD | |
| SCHEMBL102984 | 0.72 | FYN (0.79) | FYNDYRK3CCNT1CDK9CDK5 | |
| SCHEMBL102963 | 0.71 | PIM1 (0.58) | FYNKDM4ENPC1HPGDRAB9A | |
| SCHEMBL17604111 | 0.70 | HTT (0.47) | CNR1CRHR1DYRK3CCNT1CDK9 | |
| SCHEMBL15864503 | 0.70 | FYN (0.58) | FYNCRHR1DYRK3CCNT1CDK9 | |
| SCHEMBL19692970 | 0.69 | FYN (0.44) | FYNDYRK3CCNT1CDK9CDK5 | |
| SCHEMBL21378510 | 0.69 | FYN (0.44) | FYNDYRK3CCNT1CDK9CDK5 | |
| SCHEMBL30085635 | 0.69 | DYRK1A (0.48) | FYNDYRK3CCNT1CDK9CDK5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008132162-A1 | 3- (SULPHONYLAMINO) -PHENYL-2 -HYDROXY-ETHYLAMINO DERIVATIVES USEFUL AS BETA-AGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-11-06 | — | — | WO | disclosed |
| EP-1871762-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006113704-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |