Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.57 |
| ▸ | TYMS | P04818 | 1/20 | 0.49 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.42 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.42 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8389949 | 0.78 | DHFR (0.45) | DHFRDCPSALDH1A1PAX8 | |
| SCHEMBL8387576 | 0.78 | DHFR (0.45) | DHFRALDH1A1PAX8 | |
| SCHEMBL2918933 | 0.74 | KMT2A (0.52) | TYMSKCNH2ALDH1A1 | |
| SCHEMBL10690347 | 0.72 | DCPS (0.59) | DHFRDCPSKCNH2 | |
| SCHEMBL8390412 | 0.71 | ALDH1A1 (0.49) | DHFRDCPSALDH1A1PAX8 | |
| SCHEMBL1154870 | 0.71 | DCPS (0.58) | DHFRDCPSKCNH2 | |
| SCHEMBL22978840 | 0.70 | CCNT1 (0.47) | TYMSALDH1A1TXNRD1TXNRD3TXNRD2 | |
| SCHEMBL21596907 | 0.70 | TYMS (0.43) | TYMSALDH1A1TXNRD1TXNRD3TXNRD2 | |
| SCHEMBL22729372 | 0.70 | ALDH1A1 (0.44) | TYMSKCNH2ALDH1A1TXNRD1TXNRD3 | |
| SCHEMBL26616704 | 0.70 | GPR35 (0.48) | TYMSKCNH2ALDH1A1TXNRD1TXNRD3 |
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-1287018-A2 | THROMBIN INHIBITORS | Lek Pharmaceutical and Chemical Co. D.D. (SI) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001085760-A1 | THROMBIN INHIBITORS | LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) | 2001-11-15 | — | — | WO | disclosed |