Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| Acrolein SCHEMBL28038131 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL13541829 | 0.84 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL28823258 | 0.81 | ALDH1A1 (0.43) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL28038125 | 0.78 | ALOX5 (0.44) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL28037764 | 0.74 | RAB9A (0.48) | ALDH1A1TDP1NPC1RAB9APOLB | |
| SCHEMBL407650 | 0.74 | POLB (0.39) | TSHRNPC1RAB9APOLBL3MBTL1 | |
| SCHEMBL15977316 | 0.72 | NPC1 (0.33) | ALDH1A1TSHRNPC1RAB9APOLB | |
| Acrylic Acid SCHEMBL15366669 | 0.71 | TDP1 (0.47) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL16899790 | 0.71 | TDP1 (0.55) | ALDH1A1TSHRTDP1NPC1RAB9A | |
| SCHEMBL16564229 | 0.70 | NPC1 (0.43) | ALDH1A1TSHRNPC1RAB9APOLB |
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 |