Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL50811 | 0.94 | TDP1 (0.48) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 | |
| SCHEMBL28466736 | 0.93 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 | |
| Phosphine SCHEMBL28474623 | 0.93 | TDP1 (0.46) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 | |
| Iodide SCHEMBL16916967 | 0.93 | TDP1 (0.46) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 | |
| SCHEMBL30190544 | 0.89 | HSD17B10 (0.42) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 | |
| Formaldehyde SCHEMBL27472811 | 0.89 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 | |
| SCHEMBL4146817 | 0.89 | HSD17B10 (0.42) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 | |
| SCHEMBL5483099 | 0.87 | HPRT1 (0.52) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 | |
| SCHEMBL29353155 | 0.87 | HPRT1 (0.52) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 | |
| Pyridine SCHEMBL10336881 | 0.85 | TDP1 (0.40) | ALDH1A1HSD17B10TDP1TSHRCYP2A6 |
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-105814461-A | Composition for manufacturing optical device having negative optical dispersion and optical anisotropic body manufactured therefrom | LG化学株式会社 | 2016-07-27 | — | — | CN | disclosed |