Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PLA2G10 | O15496 | 4/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28165013 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4EHPGDPKM | |
| SCHEMBL15466939 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TSHRKDM4EHPGDHSD17B10 | |
| SCHEMBL9241483 | 0.73 | KDM4E (0.51) | ALDH1A1TSHRKDM4EHPGDHSD17B10 | |
| SCHEMBL30548972 | 0.72 | ALDH1A1 (0.51) | ALDH1A1TSHRKDM4EHPGDHSD17B10 | |
| SCHEMBL7517971 | 0.72 | NOD2 (0.52) | ALDH1A1MAPTHTTNPC1 | |
| Dimethylamine SCHEMBL4930574 | 0.71 | ALDH1A1 (0.87) | ALDH1A1TSHRCYP1A2PLA2G10MCL1 | |
| SCHEMBL15678859 | 0.70 | ALDH1A1 (0.49) | ALDH1A1TSHRKDM4EHPGDHSD17B10 | |
| SCHEMBL28393384 | 0.70 | ALDH1A1 (0.69) | ALDH1A1TSHRPLA2G10MCL1F10 | |
| SCHEMBL5208338 | 0.69 | ALDH1A1 (1.00) | ALDH1A1TSHRCYP1A2PLA2G10MCL1 | |
| SCHEMBL30194196 | 0.69 | ALDH1A1 (1.00) | ALDH1A1TSHRCYP1A2PLA2G10MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2699571-A2 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143080-A2 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |