Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28226892 | 0.85 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1PBRM1TDP1 | |
| Benzophenone SCHEMBL27436227 | 0.83 | ALDH1A1 (0.88) | ALDH1A1KMT2AMEN1PBRM1TDP1 | |
| Bicarbonate SCHEMBL10681140 | 0.81 | HSP90AA1 (0.71) | ALDH1A1KMT2AHSP90AA1TDP1L3MBTL1 | |
| Terephthalic Acid SCHEMBL1648473 | 0.80 | TSHR (0.55) | HSP90AA1L3MBTL1SRD5A2LMNAPOLB | |
| Carbamic Acid SCHEMBL1413116 | 0.79 | HSP90AA1 (0.67) | ALDH1A1HSP90AA1TDP1L3MBTL1MAPT | |
| Benzophenone SCHEMBL6339732 | 0.78 | ALDH1A1 (0.88) | ALDH1A1KMT2AMEN1PBRM1TDP1 | |
| Benzophenone SCHEMBL27778625 | 0.78 | ALDH1A1 (0.88) | ALDH1A1KMT2AMEN1PBRM1TDP1 | |
| Benzophenone SCHEMBL28035103 | 0.78 | ALDH1A1 (0.88) | ALDH1A1KMT2AMEN1PBRM1TDP1 | |
| Benzophenone SCHEMBL1695422 | 0.78 | ALDH1A1 (0.88) | ALDH1A1KMT2AMEN1PBRM1TDP1 | |
| Benzophenone SCHEMBL28491203 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1PBRM1TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101296907-B | Diaminopyrimidines as P2X3 and P2X2/3 modulators | HOFFMANN LA ROCHE | 2013-03-27 | — | — | CN | disclosed |
| CN-101300235-B | Diaminopyrimidines as P2X3 and P2X2/3 modulators | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-07 | — | — | CN | disclosed |
| CN-101300235-A | Diaminopyrimidines as P2X3 and P2X2/3 modulators | HOFFMANN LA ROCHE (CH) | 2008-11-05 | — | — | CN | disclosed |
| CN-101296907-A | Diaminopyrimidines as P2X3 and P2X2/3 modulators | ROCHE PALO ALTO LLC (CH) | 2008-10-29 | — | — | CN | disclosed |