Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HTR1E | P28566 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL899669 | 0.92 | TSHR (0.48) | TSHRLMNAALOX12ACHEMEN1 | |
| Toluene SCHEMBL5492949 | 0.89 | TSHR (0.41) | TSHRLMNAALOX12ACHEMEN1 | |
| Toluene SCHEMBL5492947 | 0.89 | TSHR (0.44) | TSHRLMNAALOX12ACHEMEN1 | |
| O-Xylene SCHEMBL16581594 | 0.78 | TSHR (0.46) | TSHRLMNAALOX12ACHEMEN1 | |
| SCHEMBL10961446 | 0.77 | GAA (0.31) | — | |
| SCHEMBL11675422 | 0.77 | GAA (0.31) | — | |
| Toluene SCHEMBL479301 | 0.76 | ACHE (0.52) | TSHRLMNAALOX12ACHE | |
| Benzene SCHEMBL9464137 | 0.74 | KDM4E (0.30) | MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL20454582 | 0.74 | — | — | |
| SCHEMBL30507734 | 0.73 | ROCK2 (0.40) | MEN1KMT2AALDH1A1KDM4ENPC1 |
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-104829407-A | Method for preparing 2,3-dimethyl-1-butylene through gas-solid phase isomerization catalysis | DALIAN CHEMPHY CHEMICAL CO LTD | 2015-08-12 | — | — | CN | claimed |
| CN-104829407-A | Method for preparing 2,3-dimethyl-1-butylene through gas-solid phase isomerization catalysis | DALIAN CHEMPHY CHEMICAL CO LTD | 2015-08-12 | — | — | CN | disclosed |