Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 7/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7442877 | 0.85 | TSHR (0.42) | CYP2A13ALOX15HRH3HTTALDH1A1 | |
| SCHEMBL16462153 | 0.81 | CYP2A13 (0.61) | CYP2A13CYP2C9ALOX15HSD17B10HRH3 | |
| SCHEMBL16462107 | 0.81 | CYP2A13 (0.61) | CYP2A13CYP2C9ALOX15HSD17B10HRH3 | |
| SCHEMBL296307 | 0.79 | CYP2A13 (0.63) | CYP2A13CYP2C9ALOX15HSD17B10HRH3 | |
| SCHEMBL5238359 | 0.78 | HSD17B10 (0.46) | CYP2A13CYP2C9ALOX15HSD17B10HRH3 | |
| SCHEMBL220727 | 0.77 | HTT (0.48) | CYP2A13CYP2C9ALOX15HSD17B10HTT | |
| SCHEMBL16463965 | 0.77 | CYP2A13 (0.45) | CYP2A13CYP2C9ALOX15HSD17B10HRH3 | |
| SCHEMBL4100083 | 0.76 | CYP2A13 (1.00) | CYP2A13CYP2C9ALOX15HSD17B10ALDH1A1 | |
| SCHEMBL28805624 | 0.76 | CYP2C9 (0.52) | CYP2A13CYP2C9ALOX15HSD17B10HRH3 | |
| SCHEMBL6813936 | 0.75 | CYP2A13 (0.96) | CYP2A13CYP2C9ALOX15HSD17B10ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863755-A4 | ANTITHROMBOTIC DIAMINES | LILLY CO ELI (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0863755-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997025033-A1 | ANTITHROMBOTIC DIAMINES | ELI LILLY AND COMPANY (US) | 1997-07-17 | — | — | WO | disclosed |