Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12433899 | 0.97 | TDP1 (0.35) | SIGMAR1ALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL17264027 | 0.94 | SIGMAR1 (0.32) | SIGMAR1ALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL12433938 | 0.87 | HSD17B1 (0.35) | SIGMAR1ALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL12433944 | 0.87 | HSD17B1 (0.35) | SIGMAR1ALDH1A1TDP1CYP3A4HPGD | |
| SCHEMBL10029021 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TDP1CYP3A4HPGDCYP1A2 | |
| SCHEMBL12728721 | 0.86 | PDK2 (0.33) | LMNA | |
| SCHEMBL18174848 | 0.85 | CYP1A2 (0.41) | ALDH1A1TDP1CYP3A4HPGDCYP1A2 | |
| SCHEMBL9921115 | 0.85 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4HPGDCYP1A2 | |
| SCHEMBL12433903 | 0.85 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4HPGDCYP1A2 | |
| SCHEMBL23764165 | 0.84 | MAPT (0.38) | SIGMAR1ALDH1A1HPGDHSD17B10L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7981523-B2 | Aromatic amine derivative and organic electroluminescence device using the same | IDEMITSU KOSAN CO., LTD. (JP) | 2011-07-19 | — | — | US | disclosed |
| US-7981523-B2 | Aromatic amine derivative and organic electroluminescence device using the same | IDEMITSU KOSAN CO., LTD. (JP) | 2011-07-19 | — | — | US | disclosed |