Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 8/20 | 0.43 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.42 |
| ▸ | CDH1 | P12830 | 1/20 | 0.41 |
| ▸ | APC | P25054 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9912633 | 0.92 | ALDH1A1 (0.50) | ALDH1A1HPGDTDP1RAB9ANPC1 | |
| SCHEMBL10584287 | 0.88 | ALDH1A1 (0.46) | ALDH1A1HPGDCDH1APCCTNNB1 | |
| SCHEMBL11144403 | 0.88 | TDP1 (0.54) | ALDH1A1HPGDCDH1APCCTNNB1 | |
| SCHEMBL29967465 | 0.88 | TDP1 (0.54) | ALDH1A1HPGDCDH1APCCTNNB1 | |
| Hydrochloric Acid SCHEMBL10584298 | 0.86 | TDP1 (0.53) | ALDH1A1HPGDCDH1APCCTNNB1 | |
| SCHEMBL28177217 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HPGDDOT1LCDH1APC | |
| SCHEMBL4206695 | 0.82 | HTT (0.52) | ALDH1A1HPGDRAB9ANPC1KDM4E | |
| SCHEMBL15689338 | 0.82 | NPSR1 (0.46) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL5007899 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HPGDDOT1LCDH1APC | |
| SCHEMBL29967657 | 0.81 | TDP1 (0.54) | ALDH1A1HPGDCDH1APCCTNNB1 |
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-104053442-A | Certain chemical entities, compositions, and methods | NEUPHARMA INC | 2014-09-17 | — | — | CN | disclosed |