Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC2 | O75106 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | VHL | P40337 | 1/20 | 0.44 |
| ▸ | ELOC | Q15369 | 1/20 | 0.44 |
| ▸ | ELOB | Q15370 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12348299 | 0.78 | HSD17B10 (0.36) | LMNAALDH1A1HPGDCYP2C19 | |
| SCHEMBL4399632 | 0.77 | CYP3A4 (0.57) | MAPTLMNAMEN1KMT2ATDP1 | |
| SCHEMBL3556883 | 0.75 | F2 (0.55) | AOC2VHLELOCELOBLMNA | |
| SCHEMBL14174283 | 0.73 | F2 (0.59) | MAPTRAB9ALMNAALDH1A1KMT2A | |
| SCHEMBL2361705 | 0.72 | HDAC1 (0.65) | RAB9AALDH1A1NPC1SMN1; SMN2L3MBTL1 | |
| Benzamidoxime SCHEMBL194059 | 0.71 | HDAC8 (0.50) | MAPTALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL8704862 | 0.69 | AOC2 (0.65) | AOC2MAPTRAB9ALMNAALDH1A1 | |
| SCHEMBL4404636 | 0.69 | HDAC6 (0.61) | MAPTRAB9ALMNAALDH1A1MEN1 | |
| SCHEMBL771387 | 0.69 | LMNA (0.50) | MAPTRAB9ALMNAALDH1A1MEN1 | |
| SCHEMBL566487 | 0.69 | CES2 (0.46) | RAB9ALMNANPC1 |
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-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |