Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | DHPS | P49366 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL11850996 | 0.83 | ALDH1A1 (0.36) | ALDH1A1KMT2ATUBB1SMN1; SMN2GAA | |
| SCHEMBL9998500 | 0.81 | LTA4H (0.35) | ALDH1A1KMT2ATHRBCYP3A4GAA | |
| SCHEMBL5257818 | 0.80 | TDP1 (0.33) | ALDH1A1SMN1; SMN2MAPTTDP1HPGD | |
| SCHEMBL15069616 | 0.80 | ALDH1A1 (0.39) | ALDH1A1THRBCYP3A4GAAMAPT | |
| SCHEMBL11212756 | 0.79 | NR5A1 (0.40) | ALDH1A1THRBGAAMAPTTSHR | |
| SCHEMBL7386281 | 0.79 | ALDH1A1 (0.37) | ALDH1A1RECQLNR1I2TUBB1DHPS | |
| SCHEMBL11513183 | 0.79 | NQO1 (0.36) | ALDH1A1KMT2ACYP3A4SMN1; SMN2HSD17B10 | |
| SCHEMBL12097881 | 0.78 | ALDH1A1 (0.35) | ALDH1A1RECQLNR1I2DHPS | |
| SCHEMBL8009351 | 0.77 | — | — | |
| SCHEMBL7997628 | 0.76 | PTPN1 (0.35) | ALDH1A1KMT2AMAPTTDP1MEN1 |
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-102264702-B | Dihydropyridinone amides as P2X7 modulators | HOFFMANN LA ROCHE | 2015-03-25 | — | — | CN | disclosed |