Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.32 |
| ▸ | CHAT | P28329 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17243447 | 0.92 | CHAT (0.33) | ALDH1A1TP53CYP3A4HPGDALOX15 | |
| SCHEMBL16115803 | 0.84 | PDK2 (0.35) | ALDH1A1TP53CYP3A4HPGDALOX15 | |
| SCHEMBL27012223 | 0.83 | RAB9A (0.39) | ALDH1A1TP53CYP3A4HPGDALOX15 | |
| SCHEMBL28111740 | 0.82 | STK10 (0.36) | TSHRKDM4EPDK2CHATSNCA | |
| SCHEMBL14993473 | 0.82 | MEN1 (0.44) | ALDH1A1TP53CYP3A4HPGDALOX15 | |
| SCHEMBL23558834 | 0.82 | ALDH1A1 (0.35) | ALDH1A1TP53CYP3A4HPGDALOX15 | |
| SCHEMBL13367382 | 0.81 | CDC25B (0.48) | ALDH1A1TP53CYP3A4HPGDALOX15 | |
| SCHEMBL24969709 | 0.81 | FADS1 (0.35) | ALDH1A1TP53CYP3A4HPGDALOX15 | |
| SCHEMBL26281335 | 0.80 | PDK2 (0.35) | PDK2 | |
| SCHEMBL21386482 | 0.80 | PDK2 (0.44) | ALDH1A1TP53CYP3A4HPGDALOX15 |
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-9184395-B2 | Aromatic amine derivative and organic electroluminescent element using same | IDEMITSU KOSAN CO., LTD. (JP) | 2015-11-10 | — | — | US | disclosed |
| US-9184395-B2 | Aromatic amine derivative and organic electroluminescent element using same | IDEMITSU KOSAN CO., LTD. (JP) | 2015-11-10 | — | — | US | disclosed |