Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1977659 | 1.00 | SLC6A4 (0.49) | SLC6A4SLC6A3NPC1RAB9ACASP3 | |
| SCHEMBL1097161 | 0.85 | NPC1 (0.51) | SLC6A4SLC6A3NPC1RAB9ACASP3 | |
| SCHEMBL2708451 | 0.84 | SLC6A4 (0.51) | SLC6A4SLC6A3NPC1RAB9ACASP3 | |
| SCHEMBL30301996 | 0.84 | SLC6A4 (0.51) | SLC6A4SLC6A3NPC1RAB9ACASP3 | |
| SCHEMBL1773115 | 0.83 | KMT2A (0.50) | NPC1RAB9ASMN1; SMN2MAPTHTT | |
| SCHEMBL2427949 | 0.83 | HPGD (0.51) | SLC6A4SLC6A3NPC1RAB9ACASP3 | |
| SCHEMBL16127178 | 0.83 | KEAP1 (0.43) | SLC6A3NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL19140760 | 0.83 | KDM4E (0.54) | SLC6A4SLC6A3NPC1RAB9ACASP3 | |
| SCHEMBL112046 | 0.82 | CES2 (0.61) | SLC6A4SLC6A3NPC1RAB9ACASP3 | |
| SCHEMBL10562029 | 0.81 | TSHR (0.57) | NPC1RAB9ACASP3SMN1; SMN2SENP7 |
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-3966208-A2 | COMPOUNDS AND METHODS FOR TREATING CANCER | Antidote IP Holdings, LLC (US) | 2022-03-16 | — | — | EP | disclosed |