Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28617069 | 1.00 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL28629826 | 0.85 | MEN1 (0.42) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL28615960 | 0.82 | ALDH1A1 (0.39) | MEN1KMT2ACYP2C19CYP3A4CYP2D6 | |
| SCHEMBL28615961 | 0.82 | ALDH1A1 (0.39) | MEN1KMT2ACYP2C19CYP3A4CYP2D6 | |
| SCHEMBL28615074 | 0.78 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL28615073 | 0.78 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL20164169 | 0.77 | MEN1 (0.47) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL21442772 | 0.74 | CTSS (0.44) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL20181217 | 0.74 | CTSS (0.44) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL3957352 | 0.74 | CYP2C19 (0.60) | NPC1RAB9ASMN1; SMN2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108026083-B | Diamide macrocycles as factor XIA inhibitors | 百时美施贵宝公司 | 2021-08-27 | — | — | CN | disclosed |