Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 2/20 | 0.45 |
| ▸ | MMP8 | P22894 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6850946 | 0.87 | CYP2D6 (0.65) | CYP2D6CYP2C19KMT2AALDH1A1MAPT | |
| SCHEMBL5300432 | 0.78 | — | — | |
| SCHEMBL15255709 | 0.78 | CYP2D6 (0.54) | CYP2D6CYP2C19KMT2AALDH1A1MAPT | |
| SCHEMBL5001767 | 0.78 | CYP2D6 (0.54) | CYP2D6CYP2C19KMT2AALDH1A1MAPT | |
| SCHEMBL10058076 | 0.78 | CYP2D6 (0.54) | CYP2D6CYP2C19KMT2AALDH1A1MAPT | |
| SCHEMBL9868278 | 0.77 | ANPEP (0.56) | KDM4EMMP8NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18531792 | 0.76 | CYP2D6 (0.52) | CYP2D6CYP2C19KMT2AALDH1A1MAPT | |
| SCHEMBL13589522 | 0.75 | CYP2D6 (0.56) | CYP2D6CYP2C19KMT2AALDH1A1MAPT | |
| SCHEMBL10432669 | 0.75 | CYP2C19 (0.64) | CYP2D6CYP2C19KMT2AALDH1A1MAPT | |
| SCHEMBL9868790 | 0.74 | ANPEP (0.44) | CYP2C19ALDH1A1KDM4ENPC1RAB9A |
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-5051517-A | Reacting a chloroformidine hydrochloride with an oxamohydrazide, forming bonds between carbon and nitrogen and cyclization | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-24 | — | — | US | disclosed |