Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.67 |
| ▸ | KAT6A | Q92794 | 3/20 | 0.63 |
| ▸ | THRB | P10828 | 1/20 | 0.62 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.54 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.54 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7973301 | 0.92 | SMPD1 (0.64) | SMPD1KAT6ATHRBNR1H4USP2 | |
| SCHEMBL7973298 | 0.89 | SMPD1 (0.67) | SMPD1KAT6ATHRBNR1H4USP2 | |
| SCHEMBL7984969 | 0.87 | KAT6A (0.61) | SMPD1KAT6ANR1H4MAPK1KMT2A | |
| SCHEMBL7973513 | 0.84 | MMP1 (0.61) | KMT2AMEN1PLA2G4B | |
| SCHEMBL24500604 | 0.83 | SMPD1 (0.70) | SMPD1KAT6ATHRBNR1H4USP2 | |
| SCHEMBL7986975 | 0.83 | NPC1 (0.59) | KAT6AKMT2AMEN1 | |
| SCHEMBL24176159 | 0.82 | SMPD1 (0.68) | SMPD1KAT6ATHRBNR1H4USP2 | |
| SCHEMBL7987790 | 0.81 | KAT6A (0.57) | SMPD1KAT6ANR1H4MAPK1KMT2A | |
| SCHEMBL28225796 | 0.81 | SMPD1 (1.00) | SMPD1THRBNR1H4KMT2APLA2G4B | |
| SCHEMBL28224821 | 0.81 | SMPD1 (1.00) | SMPD1THRBNR1H4KMT2APLA2G4B |
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 |
|---|---|---|---|---|---|---|---|
| US-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |