Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.42 |
| ▸ | RAB9A | P51151 | 8/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24670851 | 0.75 | MAOB (0.59) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL29803287 | 0.75 | MAOB (0.59) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL20779328 | 0.75 | KMT2A (0.42) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL21991721 | 0.75 | RAB9A (0.44) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL21416769 | 0.72 | NPSR1 (0.43) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL14350091 | 0.70 | RAB9A (0.65) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL21417007 | 0.70 | NPC1 (0.42) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL24670735 | 0.70 | MAOB (0.62) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL18844775 | 0.70 | NPC1 (0.46) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL12535842 | 0.69 | NPC1 (0.47) | NPC1RAB9AKMT2AMEN1MAPT |
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-3164509-B1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | CELGENE QUANTICEL RES INC (US) | 2021-12-29 | — | — | EP | disclosed |