Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 4/20 | 0.39 |
| ▸ | GABRD | O14764 | 4/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.39 |
| ▸ | GABRE | P78334 | 4/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.39 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14231873 | 0.89 | CYP2A6 (0.45) | NPC1RAB9APTGS2PTPN1CYP2A6 | |
| SCHEMBL19683397 | 0.85 | TNKS (0.49) | NPC1RAB9ASHBGGABRPGABRD | |
| SCHEMBL19683447 | 0.85 | TNKS (0.49) | NPC1RAB9ASHBGGABRPGABRD | |
| SCHEMBL25824711 | 0.81 | CYP2A6 (0.52) | SHBGPTGS2PTPN1CYP2A6GABRP | |
| SCHEMBL6581929 | 0.79 | APP (0.63) | NPC1RAB9ACYP2A6GABRPGABRD | |
| SCHEMBL12278548 | 0.76 | CYP1A1 (0.44) | NPC1SHBGPTPN1MAOBKDM4E | |
| SCHEMBL19887207 | 0.74 | GABRP (0.58) | SHBGPTGS2PTPN1GABRPGABRD | |
| SCHEMBL12278496 | 0.73 | CYP1A1 (0.46) | NPC1SHBGPTPN1MAOBKDM4E | |
| SCHEMBL14231749 | 0.73 | MAOB (0.59) | NPC1RAB9AMAOBESR1ESR2 | |
| SCHEMBL3927930 | 0.72 | ESR1 (0.74) | NPC1RAB9ASHBGMAOBESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |