Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27535758 | 0.82 | ALDH1A1 (0.53) | ALDH1A1HTTMAP4K4PDE4BIKBKE | |
| Hydrochloric Acid SCHEMBL27846469 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HTTMAP4K4PDE4BIKBKE | |
| SCHEMBL434576 | 0.72 | ALDH1A1 (0.56) | ALDH1A1HTTTDP1KMT2AMEN1 | |
| SCHEMBL24070455 | 0.70 | HTT (0.57) | ALDH1A1HTTCYP2C19KMT2ASMN1; SMN2 | |
| SCHEMBL30209767 | 0.70 | HTT (0.57) | ALDH1A1HTTCYP2C19KMT2ASMN1; SMN2 | |
| SCHEMBL378483 | 0.70 | — | — | |
| SCHEMBL21469785 | 0.69 | ALDH1A1 (0.58) | ALDH1A1HTTCYP2C19TDP1KMT2A | |
| SCHEMBL4810366 | 0.69 | LMNA (0.53) | ALDH1A1HTTKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL27942154 | 0.69 | — | — | |
| SCHEMBL2616496 | 0.68 | RECQL (0.51) | ALDH1A1HTTCYP2C19TDP1KMT2A |
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-5849767-A | Chloropyridylcarbonyl derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0763530-A1 | Chloropyridylcarbonyl derivatives and their use as microbiocides | NIHON BAYER AGROCHEM K.K. (JP) | 1997-03-19 | — | — | EP | disclosed |