Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | SYK | P43405 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.59 |
| ▸ | RELA | Q04206 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | FOS | P01100 | 1/20 | 0.59 |
| ▸ | JUN | P05412 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1521611 | 1.00 | ALDH1A1 (0.65) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL28456269 | 0.90 | ALDH1A1 (0.55) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL23141928 | 0.90 | ALDH1A1 (0.63) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL22860113 | 0.90 | ALDH1A1 (0.63) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL23653128 | 0.90 | MAPT (0.57) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL23141926 | 0.90 | ALDH1A1 (0.63) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL30718957 | 0.90 | ALDH1A1 (0.63) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL22860667 | 0.89 | ALDH1A1 (0.64) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL23141968 | 0.88 | ALDH1A1 (0.60) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL23141967 | 0.88 | ALDH1A1 (0.60) | ALDH1A1SYKMAPTSMN1; SMN2NFKB1 |
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-111471021-B | Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2024-04-02 | — | — | CN | disclosed |