Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.60 |
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11176670 | 0.80 | MAOA (0.82) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL1675472 | 0.79 | HDAC6 (0.65) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL9706321 | 0.78 | MAOA (0.79) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL14591812 | 0.77 | KDM4E (0.62) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL2434363 | 0.76 | KDM4E (0.82) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL8051382 | 0.76 | KDM4E (0.70) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL30402334 | 0.76 | KDM4E (0.70) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL14626645 | 0.75 | KDM4E (0.66) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL27596627 | 0.75 | KDM4E (0.62) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL11178446 | 0.75 | MAOA (0.55) | KDM4EALDH1A1HSD17B10NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |