Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.52 |
| ▸ | RXRB | P28702 | 1/20 | 0.52 |
| ▸ | RXRG | P48443 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23749980 | 0.82 | NPC1 (0.54) | KMT2ANPC1RAB9AHTTGRM1 | |
| SCHEMBL6345488 | 0.80 | MAPK1 (0.70) | RXRARXRBRXRGKMT2ANPC1 | |
| SCHEMBL6052435 | 0.80 | KMT2A (0.64) | KMT2ANPC1RAB9AATMHTT | |
| SCHEMBL26387445 | 0.78 | GRM1 (0.45) | KMT2ANPC1RAB9AATMHTT | |
| SCHEMBL3841619 | 0.77 | MAPK1 (0.58) | NPC1RAB9AMAPK1SMN1; SMN2MAPT | |
| SCHEMBL18933496 | 0.76 | HTT (0.59) | KMT2ANPC1RAB9AHTTMAPK1 | |
| SCHEMBL14706023 | 0.76 | KMT2A (0.57) | RXRARXRBRXRGKMT2ANPC1 | |
| SCHEMBL9788261 | 0.76 | KMT2A (0.51) | RXRARXRBRXRGKMT2ANPC1 | |
| SCHEMBL17058359 | 0.74 | HTR6 (0.58) | RXRARXRBRXRGHTTGRM1 | |
| SCHEMBL21023834 | 0.74 | RXRA (0.50) | RXRARXRBRXRGKMT2ANPC1 |
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-2739628-B1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-07 | — | — | EP | disclosed |