Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | IL1B | P01584 | 1/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.50 |
| ▸ | CTSC | P53634 | 1/20 | 0.47 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17114620 | 0.83 | NPC1 (0.63) | NPC1RAB9ATNNI3KKDM4EGAA | |
| SCHEMBL14577133 | 0.80 | KIF11 (0.71) | KIF11NPC1IL1BNLRP3CTSC | |
| SCHEMBL20172492 | 0.80 | KIF11 (0.66) | KIF11IL1BNLRP3CTSC | |
| SCHEMBL31013382 | 0.79 | KIF11 (0.47) | KIF11NPC1RAB9ATDP1IL1B | |
| SCHEMBL31013379 | 0.78 | KIF11 (0.46) | KIF11NPC1RAB9ATDP1IL1B | |
| SCHEMBL22970824 | 0.78 | RAB9A (0.48) | NPC1RAB9ATDP1GAATRPV1 | |
| SCHEMBL31013375 | 0.76 | KIF11 (0.47) | KIF11NPC1RAB9ATDP1IL1B | |
| SCHEMBL22971132 | 0.76 | KIF11 (0.60) | KIF11IL1BNLRP3CTSCEPHX2 | |
| SCHEMBL10585521 | 0.76 | KDM4E (0.55) | NPC1RAB9ATDP1CTSCTNNI3K | |
| SCHEMBL20172471 | 0.76 | NPC1 (0.47) | KIF11NPC1RAB9AKDM4E |
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-3137459-B1 | MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR | HOFFMANN LA ROCHE (CH) | 2018-05-23 | — | — | EP | disclosed |