Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3816914 | 0.93 | MMP1 (0.36) | AKR1C3AKR1C2KMT2AMCHR1 | |
| SCHEMBL3807257 | 0.90 | KDM4E (0.39) | KMT2AALDH1A1SMN1; SMN2NPSR1TRPV1 | |
| SCHEMBL2879446 | 0.89 | GRM5 (0.36) | KMT2AJAK2 | |
| SCHEMBL2158041 | 0.88 | ALDH1A1 (0.42) | AKR1C3AKR1C2KMT2ARXFP1MCHR1 | |
| SCHEMBL3812117 | 0.88 | HSD17B1 (0.39) | NPSR1 | |
| SCHEMBL3814842 | 0.85 | IKBKB (0.38) | SMN1; SMN2NPSR1CYP1A2CYP2C19CNR2 | |
| SCHEMBL3809145 | 0.85 | TRPV1 (0.38) | KMT2AALDH1A1SMN1; SMN2NPSR1TRPV1 | |
| SCHEMBL3808993 | 0.84 | MAPT (0.41) | AKR1C3AKR1C2KMT2AALDH1A1 | |
| SCHEMBL3808983 | 0.84 | MAPT (0.36) | KMT2AALDH1A1NPSR1TRPV1 | |
| SCHEMBL3816814 | 0.83 | KDM4E (0.39) | KMT2AALDH1A1SMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401825-B1 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | VIROCHEM PHARMA INC (CA) | 2009-08-05 | — | — | EP | claimed |