Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 7/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 4/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.54 |
| ▸ | IL1RN | P18510 | 1/20 | 0.54 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1691398 | 0.91 | HTR6 (0.67) | HTR6POLBKEAP1IL1RNERAP1 | |
| SCHEMBL23554973 | 0.83 | GHSR (0.64) | HTR6KEAP1IL1RNERAP1MEN1 | |
| SCHEMBL1696862 | 0.83 | HTR6 (0.68) | HTR6POLBPGRKEAP1IL1RN | |
| SCHEMBL14015272 | 0.82 | KEAP1 (0.63) | KEAP1ALDH1A1PKMCA12CA9 | |
| SCHEMBL10213284 | 0.81 | LMNA (0.45) | HTR6MEN1ALDH1A1KMT2AGAA | |
| SCHEMBL4064536 | 0.80 | HTR6 (0.68) | HTR6POLBPGRKEAP1IL1RN | |
| SCHEMBL23306394 | 0.80 | HTR6 (0.68) | HTR6POLBPGRKEAP1IL1RN | |
| SCHEMBL1692226 | 0.79 | HTR6 (0.63) | HTR6POLBPGRKEAP1IL1RN | |
| SCHEMBL13865093 | 0.79 | ALDH1A1 (0.49) | KEAP1MEN1ALDH1A1KMT2ACA9 | |
| SCHEMBL8081768 | 0.79 | KEAP1 (0.79) | HTR6POLBPGRKEAP1IL1RN |
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 |
|---|---|---|---|---|---|---|---|
| US-7453002-B2 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-18 | — | — | US | disclosed |
| US-7453002-B2 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-18 | — | — | US | disclosed |