Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17780834 | 0.92 | ALDH1A1 (0.42) | ALDH1A1TDP1MAPTKDM4ECYP2C19 | |
| SCHEMBL12240221 | 0.90 | ALDH1A1 (0.50) | ALDH1A1TDP1L3MBTL1MAPTKDM4E | |
| SCHEMBL13990422 | 0.90 | ALDH1A1 (0.50) | ALDH1A1TDP1L3MBTL1MAPTKDM4E | |
| SCHEMBL19801901 | 0.89 | ALDH1A1 (0.38) | ALDH1A1TDP1L3MBTL1MAPTKDM4E | |
| SCHEMBL2150082 | 0.88 | TSHR (0.42) | ALDH1A1TDP1MAPTKDM4ECYP2C19 | |
| SCHEMBL17370152 | 0.88 | ALDH1A1 (0.46) | ALDH1A1TDP1L3MBTL1MAPTKDM4E | |
| SCHEMBL22001148 | 0.87 | HTR3E (0.42) | ALDH1A1TDP1L3MBTL1MAPTKDM4E | |
| SCHEMBL19801926 | 0.86 | ALDH1A1 (0.39) | ALDH1A1TDP1L3MBTL1MAPTKDM4E | |
| SCHEMBL20059332 | 0.86 | ALDH1A1 (0.46) | ALDH1A1TDP1L3MBTL1MAPTKDM4E | |
| SCHEMBL24107036 | 0.85 | ALDH1A1 (0.40) | ALDH1A1TDP1L3MBTL1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020162600-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2020-08-13 | — | — | WO | disclosed |