Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 8/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 4/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | PLAT | P00750 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL4830013 | 0.74 | SLC6A2 (0.50) | HTR2CSLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL6325639 | 0.74 | HTR2C (0.39) | HTR2CSLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL6329433 | 0.74 | PRMT5 (0.43) | HTR2CCXCR4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6324444 | 0.74 | HTR2C (0.39) | HTR2CSLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL14938797 | 0.69 | ALDH1A1 (0.42) | KMT2ATDP1HRH3 | |
| SCHEMBL7839191 | 0.69 | HTR2C (0.45) | HTR2CSLC6A2SLC6A4SLC6A3HTR1A | |
| SCHEMBL1855361 | 0.69 | LMNA (0.55) | CXCR4MEN1CHRM2CHRM1ADRA2C | |
| Hydrochloric Acid SCHEMBL19284685 | 0.68 | CRHBP (0.47) | HTR2CMEN1KMT2AADRA1D | |
| SCHEMBL2173660 | 0.67 | LMNA (0.49) | HTR2CCXCR4SLC6A2SLC6A4HTR1A | |
| SCHEMBL28079662 | 0.67 | — | — |
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-1337251-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002102380-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-12-27 | — | — | WO | disclosed |