Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.34 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 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 | |
|---|---|---|---|---|
| Butanal SCHEMBL4564980 | 0.88 | CYP3A4 (0.40) | ALDH1A1LIPGCYSLTR2CYSLTR1TSHR | |
| Butanal SCHEMBL4564169 | 0.88 | ALDH1A1 (0.38) | ALDH1A1LIPGCYSLTR2CYSLTR1TSHR | |
| Butanal SCHEMBL4563898 | 0.88 | ALDH1A1 (0.38) | ALDH1A1LIPGCYSLTR2CYSLTR1TSHR | |
| Methyl Alcohol SCHEMBL27656386 | 0.86 | TAAR1 (0.47) | TAAR1GPR84DAOALDH1A1CTBP2 | |
| SCHEMBL2181212 | 0.86 | TAAR1 (0.50) | TAAR1GPR84DAOALDH1A1CTBP2 | |
| Propionaldehyde SCHEMBL4563938 | 0.83 | TAAR1 (0.42) | TAAR1GPR84DAOALDH1A1CTBP2 | |
| Pentanal SCHEMBL29110702 | 0.83 | TSHR (0.48) | TAAR1GPR84DAOLIPGCHRM2 | |
| Formic Acid SCHEMBL27643490 | 0.83 | TAAR1 (0.44) | TAAR1GPR84DAOALDH1A1CTBP2 | |
| SCHEMBL585702 | 0.81 | TAAR1 (0.48) | TAAR1GPR84DAOALDH1A1CTBP2 | |
| Butanal SCHEMBL4564646 | 0.80 | ADRA1A (0.41) | ALDH1A1CHRM2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7612148-B2 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2009-11-03 | — | — | US | disclosed |
| US-20080146733-A1 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2008-06-19 | — | — | US | disclosed |