Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 7/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4610606 | 0.78 | KDM4E (0.40) | ALDH1A1KDM4ETNIKHSD11B1CXCR3 | |
| SCHEMBL4450239 | 0.68 | — | — | |
| SCHEMBL3573560 | 0.68 | CXCR3 (0.42) | ALDH1A1KDM4ETNIKHSD11B1CXCR3 | |
| SCHEMBL3573557 | 0.68 | CXCR3 (0.42) | ALDH1A1KDM4ETNIKHSD11B1CXCR3 | |
| SCHEMBL3790904 | 0.67 | SIGMAR1 (0.41) | HSD11B1CXCR3SMN1; SMN2NPC1HPGD | |
| SCHEMBL2302676 | 0.65 | HSD11B1 (0.80) | HSD11B1 | |
| SCHEMBL12672699 | 0.65 | MEN1 (0.45) | ALDH1A1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL1427267 | 0.64 | TNIK (0.47) | ALDH1A1KDM4ETNIKCXCR3CHRM2 | |
| SCHEMBL15383206 | 0.64 | HSD11B1 (0.43) | ALDH1A1KDM4ETNIKHSD11B1CXCR3 | |
| SCHEMBL8663255 | 0.64 | OPRL1 (0.45) | ALDH1A1HTTMEN1KMT2ACYP3A4 |
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-1943231-A1 | (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007048802-A1 | (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |