Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.63 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.52 |
| ▸ | PPARD | Q03181 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.50 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 4/20 | 0.48 |
| ▸ | PPARA | Q07869 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
| ▸ | TLR2 | O60603 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28816932 | 0.97 | ACE2 (0.59) | ACE2GPR84FFAR1PPARDMAPT | |
| SCHEMBL28166858 | 0.91 | ACE2 (0.55) | ACE2GPR84FFAR1PPARDMAPT | |
| Stearic Acid SCHEMBL28833381 | 0.89 | GPR84 (0.68) | GPR84FFAR1PPARDMAPTPPARG | |
| Hexanoate SCHEMBL28411530 | 0.87 | AKR1B1 (0.67) | GPR84FFAR1PPARDMAPTPPARG | |
| SCHEMBL49960 | 0.87 | — | — | |
| SCHEMBL186666 | 0.87 | — | — | |
| SCHEMBL332898 | 0.87 | GABRR1 (0.50) | ACE2CA2MAPK1TDP1 | |
| SCHEMBL265610 | 0.87 | — | — | |
| SCHEMBL7907532 | 0.86 | ACE2 (0.59) | ACE2GPR84FFAR1CA2MAPK1 | |
| Valeric Acid SCHEMBL9708574 | 0.84 | AKR1B1 (0.56) | GPR84FFAR1PPARDPPARGPPARA |
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-105764902-B | Spiro-compound as tryptophan hydroxylase inhibitor | 卡罗斯制药公司 | 2019-02-15 | — | — | CN | claimed |
| CN-105764902-A | Spirocyclic compounds as tryptophan hydroxylase inhibitors | 卡罗斯制药公司 | 2016-07-13 | — | — | CN | claimed |