Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 5/20 | 0.33 |
| ▸ | EDNRA | P25101 | 5/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1059487 | 0.87 | EDNRB (0.40) | ALDH1A1MAPK1EDNRBEDNRANR1I2 | |
| SCHEMBL1059489 | 0.87 | EDNRB (0.40) | ALDH1A1MAPK1EDNRBEDNRANR1I2 | |
| SCHEMBL28058949 | 0.67 | MAPK1 (0.33) | ALDH1A1MAPK1TSHRTAAR1 | |
| SCHEMBL15655487 | 0.67 | MAPK1 (0.33) | ALDH1A1MAPK1TSHRTAAR1 | |
| SCHEMBL6925377 | 0.67 | ESR1 (0.52) | MAOAMAPTALDH1A1RAB9ATSHR | |
| SCHEMBL4268612 | 0.67 | MAPK1 (0.33) | ALDH1A1MAPK1TSHRTAAR1 | |
| SCHEMBL2325083 | 0.67 | TSHR (0.37) | ALDH1A1MAPK1TSHRTAAR1 | |
| Isopropylbenzene SCHEMBL29059047 | 0.67 | TSHR (0.53) | MAOAMAPTALDH1A1RAB9ATSHR | |
| SCHEMBL1059491 | 0.67 | MAPK1 (0.34) | ALDH1A1MAPK1EDNRBEDNRANR1I2 | |
| SCHEMBL1059493 | 0.67 | MAPK1 (0.34) | ALDH1A1MAPK1EDNRBEDNRANR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| US-10844163-B2 | Functional spirocyclic polymers and methods of preparation thereof | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2020-11-24 | — | — | US | disclosed |