Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9364210 | 0.93 | LTA4H (0.50) | TSHRTBXAS1ALDH1A1THRBNPC1 | |
| SCHEMBL5755407 | 0.84 | THRB (0.38) | TSHRTBXAS1ALDH1A1GABRA1GABRG2 | |
| SCHEMBL9021032 | 0.75 | LTA4H (0.56) | TSHRTBXAS1ALDH1A1MAPTNPC1 | |
| SCHEMBL202604 | 0.74 | PARP1 (0.48) | TBXAS1GAAMAPTNPC1RAB9A | |
| SCHEMBL1563130 | 0.74 | TSHR (0.48) | TSHRALDH1A1GABRA1GABRG2GABRB3 | |
| SCHEMBL17384720 | 0.73 | GRIN2B (0.36) | ALDH1A1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6003334 | 0.73 | KCNA3 (0.48) | TSHRTBXAS1ALDH1A1KCNA3LTA4H | |
| SCHEMBL3067280 | 0.72 | FDPS (0.41) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2718879 | 0.72 | LTA4H (0.45) | TSHRTBXAS1ALDH1A1KCNA3NPC1 | |
| SCHEMBL6002506 | 0.72 | TBXAS1 (0.70) | TBXAS1ALDH1A1MAPTLTA4H |
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 |
|---|---|---|---|---|---|---|---|
| US-20130226549-A1 | STRUCTURE-BASED FRAGMENT HOPPING FOR LEAD OPTIMIZATION AND IMPROVEMENT IN SYNTHETIC ACCESSIBILITY | TSENG, YUFENG J. (TW) | 2013-08-29 | — | — | US | disclosed |