Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5261722 | 0.76 | TRPA1 (0.43) | TRPA1TYMSKDM4EALDH1A1HPGD | |
| SCHEMBL168345 | 0.75 | TRPA1 (0.56) | TRPA1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL4742301 | 0.64 | TRPA1 (0.50) | TRPA1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL7954194 | 0.64 | ALDH1A1 (0.50) | TRPA1TYMSKDM4EALDH1A1HPGD | |
| SCHEMBL7210012 | 0.63 | TRPA1 (0.44) | TRPA1KDM4EALDH1A1HPGD | |
| SCHEMBL95004 | 0.62 | MAPT (0.50) | TYMSKDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL18537836 | 0.62 | TYMS (0.50) | TYMSKDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL11919733 | 0.62 | TYMS (0.50) | TYMSKDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL8466286 | 0.60 | MAPT (0.48) | TYMSKDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL1695335 | 0.60 | TRPA1 (0.41) | TRPA1MEN1BCHEPOLBMAPT |
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-1283837-A1 | NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2003-02-19 | — | — | EP | disclosed |
| WO-2001087879-A1 | NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2001-11-22 | — | — | WO | disclosed |