Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | RXRB | P28702 | 2/20 | 0.41 |
| ▸ | RXRG | P48443 | 2/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.40 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10338995 | 0.81 | KDM4E (0.52) | PIN1DHODHNR4A2TSHRRAB9A | |
| SCHEMBL8397343 | 0.81 | PIN1 (0.50) | PIN1KMONR4A2CSNK1D | |
| SCHEMBL8396801 | 0.81 | PIN1 (0.49) | PIN1KMOMDM2RXRARXRB | |
| SCHEMBL8396813 | 0.80 | ALPL (0.46) | DHODHMEN1KMT2ACNR1RAB9A | |
| SCHEMBL8400098 | 0.78 | PIN1 (0.52) | PIN1KMONPSR1IP6K1IP6K3 | |
| SCHEMBL2057011 | 0.76 | KMO (0.52) | PIN1KMOMDM2DHODHAKR1C2 | |
| SCHEMBL2988256 | 0.74 | RAB9A (0.38) | PIN1KMORXRARXRBRXRG | |
| SCHEMBL11400729 | 0.74 | AKR1C2 (0.47) | PIN1KMODHODHAKR1C2AKR1C1 | |
| SCHEMBL11390925 | 0.73 | KMO (0.43) | PIN1KMODHODHAKR1C2AKR1C1 | |
| SCHEMBL11005057 | 0.72 | AKR1C2 (0.45) | PIN1KMOMDM2DHODHAKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5948916-A | Arylthiadiazole derivative and antiviral agent containing the same | RATIONAL DRUG DESIGN LABORATORIES (JP) | 1999-09-07 | — | — | US | disclosed |
| EP-0785193-A1 | ARYLTHIADIAZOLE DERIVATIVE AND ANTIVIRAL AGENT CONTAINING THE SAME | Rational Drug Design Laboratories (JP) | 1997-07-23 | — | — | EP | disclosed |