Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1759252 | 0.72 | KDM4E (0.36) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL7009675 | 0.69 | PARP1 (0.42) | L3MBTL1MAPTPOLBTSHRKDM1A | |
| SCHEMBL5738395 | 0.68 | TSHR (0.42) | CA12CA1CA2CA6CA9 | |
| SCHEMBL7562014 | 0.67 | TSHR (0.41) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL18682217 | 0.67 | TSHR (0.50) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL18670700 | 0.67 | TSHR (0.50) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL9123084 | 0.64 | TSHR (0.52) | CA12CA1CA2CA6CA9 | |
| SCHEMBL3712689 | 0.63 | ALOX5 (0.44) | MEN1KMT2ACA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL9365820 | 0.63 | TSHR (0.50) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL4882153 | 0.59 | CA12 (0.65) | MEN1KMT2ACA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |