Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | P4HA1 | P13674 | 3/20 | 0.53 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.53 |
| ▸ | MIF | P14174 | 1/20 | 0.52 |
| ▸ | GABRP | O00591 | 1/20 | 0.50 |
| ▸ | GABRD | O14764 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.50 |
| ▸ | GABRE | P78334 | 1/20 | 0.50 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.50 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.50 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL38414 | 0.92 | P4HA1 (0.61) | ALDH1A1P4HA1P4HTMMIFGABRP | |
| SCHEMBL29751460 | 0.92 | P4HA1 (0.61) | ALDH1A1P4HA1P4HTMMIFGABRP | |
| Hydrochloric Acid SCHEMBL1871783 | 0.90 | P4HA1 (0.59) | ALDH1A1P4HA1P4HTMMIFGABRP | |
| Nitrous Acid SCHEMBL27425985 | 0.85 | P4HA1 (0.53) | ALDH1A1P4HA1P4HTMMIFGABRP | |
| SCHEMBL16841 | 0.78 | — | — | |
| SCHEMBL29411198 | 0.78 | — | — | |
| SCHEMBL5973043 | 0.77 | RXFP1 (0.44) | ALDH1A1P4HA1P4HTMMIFGABRP | |
| Formaldehyde SCHEMBL27841183 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4ETSHR | |
| SCHEMBL3500140 | 0.76 | HCAR3 (0.69) | HCAR3 | |
| SCHEMBL3500869 | 0.76 | NPC1 (0.66) | KDM4ECYP1A2CYP2C9CYP2C19HCAR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0712397-A1 | AMIDE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-05-22 | — | — | EP | disclosed |
| WO-1995004729-A1 | AMIDE DERIVATIVES AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-02-16 | — | — | WO | disclosed |