Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28320083 | 0.97 | ALDH1A1 (0.52) | ALDH1A1TSHRLMNAPRSS1PRSS2 | |
| SCHEMBL9996173 | 0.90 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL23040639 | 0.90 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL29287102 | 0.89 | PRSS1 (0.59) | ALDH1A1TSHRLMNAPRSS1PRSS2 | |
| SCHEMBL23040636 | 0.89 | PRSS1 (0.59) | ALDH1A1TSHRLMNAPRSS1PRSS2 | |
| SCHEMBL1460094 | 0.88 | PRSS1 (0.57) | ALDH1A1TSHRLMNAPRSS1PRSS2 | |
| SCHEMBL15854184 | 0.87 | TSHR (0.58) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL28829154 | 0.80 | ALDH1A1 (0.77) | ALDH1A1TSHRLMNAPRSS1PRSS2 | |
| SCHEMBL11130022 | 0.80 | ALDH1A1 (0.77) | ALDH1A1TSHRLMNAPRSS1PRSS2 | |
| SCHEMBL9697816 | 0.80 | ALDH1A1 (0.77) | ALDH1A1TSHRLMNAPRSS1PRSS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110240694-B | Chlorine-substituted polythiophene derivative and solar cell | 天津大学 | 2021-09-03 | — | — | CN | disclosed |
| CN-110240694-A | The polythiofuran derivative and solar battery that chlorine replaces | 天津大学 | 2019-09-17 | — | — | CN | disclosed |