Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | BID | P55957 | 3/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.35 |
| ▸ | BAK1 | Q16611 | 3/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | F7 | P08709 | 2/20 | 0.35 |
| ▸ | F3 | P13726 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.35 |
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 SCHEMBL4564169 | 0.94 | ALDH1A1 (0.38) | CYP3A4CYP2D6CYP2C9TSHRLIPG | |
| Butanal SCHEMBL4563898 | 0.94 | ALDH1A1 (0.38) | CYP3A4CYP2D6CYP2C9TSHRLIPG | |
| SCHEMBL96898 | 0.88 | TSHR (0.50) | CYP3A4CYP2D6CYP2C9TSHRLIPG | |
| Butanal SCHEMBL4564599 | 0.88 | TAAR1 (0.39) | CYP3A4CYP2D6CYP2C9TSHRLIPG | |
| Propionaldehyde SCHEMBL4564734 | 0.88 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C9TSHRLIPG | |
| Butanal SCHEMBL4564646 | 0.83 | ADRA1A (0.41) | ALDH1A1MAPTHSD17B10 | |
| SCHEMBL30845912 | 0.81 | TSHR (0.44) | CYP3A4CYP2D6CYP2C9TSHRLIPG | |
| SCHEMBL3345733 | 0.81 | TSHR (0.44) | CYP3A4CYP2D6CYP2C9TSHRLIPG | |
| SCHEMBL5599488 | 0.79 | TSHR (0.41) | CYP3A4CYP2D6CYP2C9TSHRLIPG | |
| Propionaldehyde SCHEMBL29282081 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9TSHRLIPG |
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 |