Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9266120 | 0.86 | ALDH1A1 (0.59) | ALDH1A1ATMTDP1L3MBTL1HPGD | |
| SCHEMBL3039645 | 0.86 | ALDH1A1 (0.59) | ALDH1A1ATMTDP1L3MBTL1HPGD | |
| SCHEMBL697453 | 0.82 | TDP1 (0.52) | ALDH1A1TDP1L3MBTL1HPGDKMT2A | |
| SCHEMBL5724714 | 0.82 | THRB (0.46) | ALDH1A1TDP1L3MBTL1HPGDKMT2A | |
| SCHEMBL31738885 | 0.78 | MYC (0.57) | ALDH1A1ATMTDP1L3MBTL1HPGD | |
| SCHEMBL1667150 | 0.78 | MYC (0.57) | ALDH1A1ATMTDP1L3MBTL1HPGD | |
| SCHEMBL38662722 | 0.77 | AKR1C3 (0.59) | ALDH1A1ATMTDP1L3MBTL1HPGD | |
| SCHEMBL28272899 | 0.77 | CES2 (0.48) | ALDH1A1ATMTDP1L3MBTL1HPGD | |
| SCHEMBL29215698 | 0.77 | AKR1C3 (0.59) | ALDH1A1ATMTDP1L3MBTL1HPGD | |
| SCHEMBL1913492 | 0.77 | MAPT (0.55) | ALDH1A1ATMTDP1L3MBTL1HPGD |
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-3419960-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-07-01 | — | — | EP | disclosed |