Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MYC | P01106 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL1535968 | 0.85 | TSHR (0.53) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL246025 | 0.83 | TSHR (0.51) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL3930631 | 0.82 | ALDH1A1 (0.52) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL8384749 | 0.81 | CA12 (0.42) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL29723345 | 0.81 | TSHR (0.53) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL6242550 | 0.81 | TSHR (0.53) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL10627689 | 0.81 | ALDH1A1 (0.50) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL27687124 | 0.81 | KDM4E (0.48) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL27830335 | 0.80 | TSHR (0.53) | TSHRALDH1A1KDM4EHSD17B10HPGD | |
| Isobutane SCHEMBL27746314 | 0.80 | TSHR (0.55) | TSHRALDH1A1KDM4EHSD17B10HPGD |
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-2588454-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000945-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-05 | — | — | WO | disclosed |