Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27332844 | 0.79 | KMT2A (0.49) | NPC1RAB9AALDH1A1MAPTHTT | |
| SCHEMBL4855602 | 0.78 | CYP2C9 (0.47) | NPC1RAB9AABCB11HDAC6ALDH1A1 | |
| SCHEMBL28287783 | 0.78 | NOTUM (0.47) | NPC1RAB9AALDH1A1MAPTLMNA | |
| SCHEMBL8197266 | 0.77 | NOTUM (0.44) | NPC1RAB9AALDH1A1MAPTHTT | |
| SCHEMBL598042 | 0.77 | HTT (0.53) | NPC1RAB9AABCB11HDAC6ALDH1A1 | |
| SCHEMBL27781400 | 0.77 | ABCB11 (0.50) | NPC1RAB9AABCB11HDAC6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27337866 | 0.75 | PRMT5 (0.36) | ALDH1A1MAPTLMNASMN1; SMN2CYP2C9 | |
| SCHEMBL2958561 | 0.75 | ABCB11 (0.49) | MAPKAPK2NPC1RAB9AABCB11HDAC6 | |
| SCHEMBL31233694 | 0.75 | ABCB11 (0.49) | NPC1RAB9AABCB11HDAC6ALDH1A1 | |
| SCHEMBL8087821 | 0.75 | ABCB11 (0.49) | MAPKAPK2NPC1RAB9AABCB11HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102617567-A | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL MYERS SQUIBB CO | 2012-08-01 | — | — | CN | disclosed |
| CN-101357914-A | Lactam-containing compounds and derivatives thereof as factor xa inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-02-04 | — | — | CN | disclosed |
| CN-1050382-A | Pyrazole derivatives and preparation method thereof and medicinal compositions | FUJISAWA PHARMACEUTICAL CO (JP) | 1991-04-03 | — | — | CN | disclosed |