Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL8295490 | 0.84 | CYP2A6 (0.39) | HTR2AHTR2CHTR2BSLC6A2SLC6A4 | |
| SCHEMBL11509499 | 0.82 | CYP2A6 (0.46) | HTR2AHTR2CHTR2BSLC6A2CYP2A6 | |
| SCHEMBL8269232 | 0.81 | UGT2B7 (0.39) | HTR2AHTR2CHTR2BSLC6A2SLC6A4 | |
| SCHEMBL18917026 | 0.78 | LMNA (0.41) | TDP1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8295481 | 0.76 | CYP2D6 (0.34) | HTR2AHTR2CHTR2BSLC6A2SLC6A4 | |
| SCHEMBL28864791 | 0.76 | ALDH1A1 (0.47) | LMNACYP1A2TP53HTTALDH1A1 | |
| SCHEMBL9493682 | 0.76 | LMNA (0.39) | TDP1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8309887 | 0.76 | PTPRC (0.44) | SLC6A2SLC6A4SLC6A3CYP2A6TDP1 | |
| SCHEMBL9371840 | 0.76 | CYP2A6 (0.39) | CYP2A6TDP1CYP1A2UGT2B7ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8022857 | 0.75 | HTR2A (0.39) | HTR2AHTR2CHTR2BSLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004108892-A2 | 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-16 | — | — | WO | disclosed |