Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Propene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL1437887 | 0.96 | TSHR (0.61) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Heptane SCHEMBL27645878 | 0.96 | TSHR (0.61) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Octane SCHEMBL28971016 | 0.96 | TSHR (0.61) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Nonane SCHEMBL4659307 | 0.96 | TSHR (0.61) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Decane SCHEMBL28874003 | 0.93 | TSHR (0.58) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Hexane SCHEMBL11586654 | 0.93 | — | — | |
| Hexane SCHEMBL8186267 | 0.89 | TSHR (0.53) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Pentane SCHEMBL11294466 | 0.85 | — | — | |
| Propene SCHEMBL29248325 | 0.84 | TSHR (0.65) | TSHRTHRBALDH1A1 | |
| Propene SCHEMBL1505857 | 0.82 | TSHR (0.89) | TSHRTHRBDNM1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107245331-B | Oil displacement system and method for medium-permeability oil reservoir | 四川光亚聚合物化工有限公司 | 2020-08-11 | — | — | CN | disclosed |