Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1013565 | 0.84 | CA1 (0.56) | CA1CA2CA7CA9CA4 | |
| SCHEMBL4873872 | 0.83 | CA12 (0.52) | NPC1RAB9AABCB1CA1CA2 | |
| SCHEMBL23531819 | 0.81 | ABCB1 (0.45) | ABCB1PTGES2KDM4EALDH1A1 | |
| SCHEMBL29764182 | 0.81 | ABCB1 (0.45) | ABCB1PTGES2KDM4EALDH1A1 | |
| SCHEMBL16018989 | 0.81 | ABCB1 (0.68) | NPC1RAB9AABCB1ADRA1DADRA1A | |
| SCHEMBL10619752 | 0.79 | ABCB1 (0.50) | ABCB1CA1CA2CA7CA9 | |
| SCHEMBL32664684 | 0.79 | ABCB1 (0.50) | ABCB1CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL6616903 | 0.78 | AGXT (0.49) | ABCB1CA1CA2CA7CA9 | |
| SCHEMBL30145233 | 0.76 | ABCB1 (0.59) | NPC1RAB9AABCB1ADRA1DADRA1A | |
| SCHEMBL7914167 | 0.76 | ABCB1 (0.59) | NPC1RAB9AABCB1ADRA1DADRA1A |
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-4090652-A1 | SUBSTITUTED TRIAZINONES AS THYROID HORMONE RECEPTOR AGONISTS | Eccogene (Shanghai) Co., Ltd. (CN) | 2022-11-23 | — | — | EP | disclosed |
| CN-115244037-A | Substituted triazinones as thyroid hormone receptor agonists | 上海诚益生物科技有限公司 | 2022-10-25 | — | — | CN | disclosed |