Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | COMT | P21964 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10179802 | 0.81 | CRHBP (0.41) | ALDH1A1MAPTHTTCOMTLMNA | |
| SCHEMBL28037912 | 0.72 | MAPT (0.40) | ALDH1A1MAPTHTTKMT2ASMN1; SMN2 | |
| SCHEMBL28037916 | 0.72 | NPC1 (0.40) | ALDH1A1MAPTHTTLMNAKMT2A | |
| SCHEMBL28038253 | 0.72 | ALDH1A1 (0.38) | ALDH1A1MAPTHTTKMT2ASMN1; SMN2 | |
| SCHEMBL28012073 | 0.71 | ALDH1A1 (0.48) | ALDH1A1MAPTHTTLMNASMN1; SMN2 | |
| SCHEMBL10180003 | 0.71 | SMN1; SMN2 (0.42) | ALDH1A1MAPTHTTCOMTLMNA | |
| SCHEMBL10179559 | 0.70 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNAKMT2ASMN1; SMN2 | |
| SCHEMBL10180438 | 0.70 | PKM (0.45) | ALDH1A1MAPTHTTLMNAKMT2A | |
| SCHEMBL28035661 | 0.69 | MEN1 (0.31) | HTTCOMTLMNAKMT2A | |
| SCHEMBL27523212 | 0.68 | GSK3B (0.51) | ALDH1A1MAPTHTTLMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574814-B | The preparation method of pyrimidyl acetonitrile derivative and synthetic intermediate thereof | IHARA CHEMICAL INDUSTRY CO.,LTD. (JP) | 2015-09-16 | — | — | CN | disclosed |