Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.31 |
| ▸ | BAK1 | Q16611 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16594692 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TDP1CYP3A4TSHRLMNA | |
| SCHEMBL8508109 | 0.90 | TSHR (0.35) | ALDH1A1TDP1CYP3A4TSHRLMNA | |
| SCHEMBL132156 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRLMNA | |
| SCHEMBL2869579 | 0.78 | LMNA (0.46) | ALDH1A1TDP1CYP3A4TSHRLMNA | |
| SCHEMBL29001284 | 0.78 | LMNA (0.46) | ALDH1A1TDP1CYP3A4TSHRLMNA | |
| SCHEMBL2686734 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRLMNA | |
| SCHEMBL5080941 | 0.76 | TSHR (0.33) | ALDH1A1TSHRDNM1 | |
| SCHEMBL2872482 | 0.76 | LMNA (0.45) | ALDH1A1TDP1CYP3A4TSHRLMNA | |
| SCHEMBL8509148 | 0.75 | TSHR (0.36) | ALDH1A1TSHRDNM1PLA2G1BHSP90AA1 | |
| SCHEMBL5550881 | 0.75 | TSHR (0.36) | ALDH1A1TSHRDNM1PLA2G1BHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2857429-A1 | COPOLYMER, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC ELECTRICAL DEVICE, AND SOLAR CELL MODULE | Mitsubishi Chemical Corporation (JP) | 2015-04-08 | — | — | EP | disclosed |