Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3978000 | 0.91 | KCNH2 (0.43) | CAPN1KCNH2RAB9ANPC1ADAMTS4 | |
| Trifluoroacetic Acid SCHEMBL27785538 | 0.78 | KCNH2 (0.49) | KCNH2RAB9ANPC1MAPTRXFP1 | |
| SCHEMBL11365473 | 0.77 | KCNH2 (0.47) | KCNH2RAB9ANPC1ADAMTS4MAPT | |
| Trifluoroacetic Acid SCHEMBL4777180 | 0.76 | NPC1 (0.43) | CAPN1KCNH2RAB9ANPC1ADAMTS4 | |
| SCHEMBL7030133 | 0.75 | KCNH2 (0.48) | KCNH2RAB9ANPC1ADAMTS4MAPT | |
| Trifluoroacetic Acid SCHEMBL4778441 | 0.74 | NPC1 (0.42) | KCNH2RAB9ANPC1RXFP1HTT | |
| Trifluoroacetic Acid SCHEMBL4777187 | 0.73 | HCRTR1 (0.39) | KCNH2RAB9ANPC1HTTKMT2A | |
| SCHEMBL29958593 | 0.72 | ATM (0.43) | RAB9AMAPTAHRKMT2AALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29988639 | 0.71 | GAA (0.53) | NPC1MAPTHTTKDM4ECA12 | |
| SCHEMBL4742417 | 0.69 | KDM4E (0.42) | KCNH2RAB9ANPC1MAPTRXFP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1973902-A2 | 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS | Affinium Pharmaceuticals, Inc. (CA) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007067416-A2 | HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2007-06-14 | — | — | WO | disclosed |