Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 7/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | ESRRA | P11474 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DDT | P30046 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20209713 | 0.88 | KMT2A (0.39) | KMT2ANPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL15933197 | 0.85 | KMT2A (0.44) | KMT2ANPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL14692497 | 0.84 | NOTUM (0.52) | KMT2ANPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL14706103 | 0.82 | KMT2A (0.42) | KMT2ANPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL18945325 | 0.80 | RXRA (0.48) | NOTUMKLKB1 | |
| SCHEMBL20263181 | 0.75 | KMT2A (0.50) | KMT2ANPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL20263208 | 0.74 | GRIN2B (0.46) | KMT2ANPC1RAB9ANOTUMSMN1; SMN2 | |
| SCHEMBL18944628 | 0.73 | PTGS2 (0.47) | KMT2AALDH1A1MAPTTSHR | |
| SCHEMBL24380270 | 0.72 | CA1 (0.52) | KMT2ANPC1RAB9ASMN1; SMN2CA12 | |
| SCHEMBL18933509 | 0.72 | P2RX7 (0.45) | KMT2ARAB9AALDH1A1NOTUMSMN1; SMN2 |
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 |