Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL105226 | 0.85 | — | — | |
| SCHEMBL28037764 | 0.83 | RAB9A (0.48) | RAB9ANPC1ALDH1A1HPGDUSP2 | |
| 2-Ethylfuran SCHEMBL28038122 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HPGDUSP2TDP1KMT2A | |
| SCHEMBL5311463 | 0.77 | RAB9A (0.41) | RAB9ANPC1ALDH1A1HPGDTDP1 | |
| SCHEMBL8924733 | 0.74 | — | — | |
| SCHEMBL7355153 | 0.73 | RAB9A (0.43) | RAB9ANPC1ALDH1A1HPGDUSP2 | |
| Acrolein SCHEMBL28038131 | 0.71 | ALDH1A1 (0.44) | RAB9ANPC1ALDH1A1HPGDTDP1 | |
| SCHEMBL15977333 | 0.70 | NPC1 (0.42) | RAB9ANPC1ALDH1A1HPGDUSP2 | |
| SCHEMBL28585127 | 0.70 | ALDH1A1 (0.39) | RAB9ANPC1ALDH1A1HPGDUSP2 | |
| SCHEMBL13388423 | 0.70 | ALDH1A1 (0.43) | RAB9ANPC1ALDH1A1HPGDUSP2 |
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-105130731-A | Method for preparing long-chain alkane from biomass derivativeS 5-HMF (hydroxymethyl furfural) or furaldehyde | HEFEI LEAF BIO TECH CO LTD | 2015-12-09 | — | — | CN | disclosed |