Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.31 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28413234 | 0.87 | USP2 (0.35) | USP2ALDH1A1ALOX15TDP1CHRNB2 | |
| SCHEMBL15128324 | 0.80 | ALDH1A1 (0.38) | USP2ALDH1A1ALOX15TDP1CHRNB2 | |
| SCHEMBL11287067 | 0.79 | TDP1 (0.34) | USP2ALDH1A1ALOX15TDP1SMN1; SMN2 | |
| SCHEMBL10549828 | 0.77 | USP2 (0.33) | USP2ALDH1A1ALOX15TDP1TP53 | |
| SCHEMBL2172610 | 0.76 | ALDH1A1 (0.35) | USP2ALDH1A1ALOX15TDP1SMN1; SMN2 | |
| SCHEMBL5706339 | 0.75 | ALDH1A1 (0.46) | USP2ALDH1A1ALOX15TDP1CYP3A4 | |
| SCHEMBL11285178 | 0.74 | USP2 (0.34) | USP2ALDH1A1ALOX15TDP1 | |
| SCHEMBL9684043 | 0.73 | TP53 (0.34) | USP2ALDH1A1ALOX15TDP1TP53 | |
| SCHEMBL11284489 | 0.73 | USP2 (0.33) | USP2ALDH1A1ALOX15TDP1 | |
| SCHEMBL21306552 | 0.73 | CHRNB2 (0.50) | ALDH1A1TDP1CHRNB2CHRNA4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105001165-B | Substituted diaminopyrimidines, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2020-06-23 | — | — | CN | disclosed |
| CN-106946795-B | Substituted diaminocarboxamides and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2020-06-02 | — | — | CN | disclosed |