Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.47 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7865767 | 0.87 | POLB (0.47) | ALDH1A1CYP1A2KMT2AMEN1RAB9A | |
| SCHEMBL22927229 | 0.80 | MAPT (0.61) | ALDH1A1CYP1A2KMT2AMEN1CYP3A4 | |
| SCHEMBL1593329 | 0.79 | KMT2A (0.66) | ALDH1A1CYP1A2KMT2AMEN1CYP3A4 | |
| SCHEMBL27704346 | 0.79 | KMT2A (0.55) | ALDH1A1CYP1A2KMT2AMEN1CYP3A4 | |
| Metacetamol SCHEMBL31195432 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP1A2KMT2AMEN1CYP3A4 | |
| Metacetamol SCHEMBL181254 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP1A2KMT2AMEN1CYP3A4 | |
| Iodide SCHEMBL3537450 | 0.78 | KMT2A (0.53) | ALDH1A1CYP1A2KMT2AMEN1CYP3A4 | |
| SCHEMBL7877529 | 0.78 | GAA (0.56) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL21479852 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP1A2KMT2AMEN1NPC1 | |
| SCHEMBL4093723 | 0.78 | MEN1 (0.60) | ALDH1A1KMT2AMEN1NPC1RAB9A |
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-RE37438-E1 | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. | 2001-11-06 | — | — | US | disclosed |
| US-5866612-A | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. (US) | 1999-02-02 | — | — | US | disclosed |