Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.43 |
| ▸ | GABRE | P78334 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15373662 | 0.93 | BCHE (0.40) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL2960396 | 0.86 | BCHE (0.49) | TSHRBCHECA12CA2CA9 | |
| SCHEMBL1304331 | 0.84 | GABRP (0.46) | TSHRGABRPGABRDGABRA1GABRB1 | |
| Hydrochloric Acid SCHEMBL4713947 | 0.82 | GABRP (0.45) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9047842 | 0.82 | GABRA1 (0.45) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL19380754 | 0.82 | BCHE (0.54) | TSHRBCHECA12CA2CA9 | |
| SCHEMBL13676231 | 0.80 | BCHE (0.53) | BCHECA12CA2CA9ALDH1A1 | |
| SCHEMBL20928014 | 0.78 | BCHE (0.44) | TSHRBCHECA12CA2CA9 | |
| SCHEMBL11980194 | 0.78 | BCHE (0.44) | TSHRBCHECA12CA2CA9 | |
| SCHEMBL2953586 | 0.78 | ALDH1A1 (0.44) | TSHRBCHESLC6A4CA12CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011123654-A1 | COMPOSITIONS AND METHODS OF SYNTHESIS OF PYRIDINOYLPIPERIDINE 5-HT1F AGONISTS | COLUCID PHARMACEUTICALS, INC. (US) | 2011-10-06 | — | — | WO | claimed |
| CN-118666840-A | Design synthesis and application of spiro [ pyrrolidine-3, 3 '-quinoline ] -2,2' -diketopiperidine carboxamide compound | 西南大学 | 2024-09-20 | — | — | CN | disclosed |
| WO-2011123654-A1 | COMPOSITIONS AND METHODS OF SYNTHESIS OF PYRIDINOYLPIPERIDINE 5-HT1F AGONISTS | COLUCID PHARMACEUTICALS, INC. (US) | 2011-10-06 | — | — | WO | disclosed |