Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8179844 | 0.81 | NPSR1 (0.54) | CES2NPSR1SRD5A2ALDH1A1TAS1R3 | |
| SCHEMBL10819628 | 0.81 | CES2 (0.65) | CES2NPSR1SRD5A2ALDH1A1TAS1R3 | |
| SCHEMBL11623513 | 0.80 | CES2 (0.52) | CES2NPSR1SRD5A2ALDH1A1TAS1R3 | |
| SCHEMBL28435533 | 0.80 | CES2 (0.67) | CES2NPSR1SRD5A2ALDH1A1TAS1R3 | |
| SCHEMBL311233 | 0.80 | CES2 (0.62) | CES2NPSR1SRD5A2ALDH1A1TAS1R3 | |
| SCHEMBL11151625 | 0.79 | NPSR1 (0.55) | CES2NPSR1SRD5A2ALDH1A1TAS1R3 | |
| SCHEMBL19865862 | 0.78 | CES2 (0.61) | CES2NPSR1SRD5A2ALDH1A1TAS1R3 | |
| SCHEMBL11813434 | 0.78 | SLC6A2 (0.50) | TAS1R3TAS1R1MEN1KMT2APOLB | |
| SCHEMBL786699 | 0.78 | CES2 (0.61) | CES2NPSR1SRD5A2ALDH1A1TAS1R3 | |
| SCHEMBL17483864 | 0.78 | CES2 (0.64) | CES2NPSR1SRD5A2ALDH1A1TAS1R3 |
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-4112095-A | 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1978-09-05 | — | — | US | disclosed |
| US-3947460-A | SEDATIVES-HYPNOTIC, TRANQUILIZER | SANDOZ, INC. (US) | 1976-03-30 | — | — | US | disclosed |