Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL17282183 | 0.87 | CYP1A2 (0.65) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL7992321 | 0.84 | CYP1A2 (0.65) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL19031318 | 0.81 | CYP1A2 (0.83) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL29875178 | 0.81 | CYP1A2 (0.83) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL5367032 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL3405350 | 0.78 | CHRM2 (0.74) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL3738479 | 0.78 | CYP1A2 (0.71) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL11594897 | 0.78 | CHRM2 (0.93) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 | |
| SCHEMBL13493227 | 0.77 | CHRM2 (0.44) | CYP1A2CYP2D6CHRM2LMNAHTR2A | |
| SCHEMBL2861457 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2D6CHRM2ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5654323-A | 2-NITROGEN-CONTAINING FUNCTIONAL GROUP-HALOBENZOTHIAZOLES; ANALGESICS; ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; INHIBITORS OF CYTOKINES (INCLUDING TUMOR NECROSIS FACTOR) AND PHOSPHOLIPASE; SEPTIC SHOCK | ADIR ET COMPAGNIE (FR) | 1997-08-05 | — | — | US | disclosed |
| US-5597819-A | ANTIINFLAMMATORY AGENTS | ADIR ET COMPAGNIE (FR) | 1997-01-28 | — | — | US | disclosed |
| US-5550143-A | Heterocyclic compounds | ADIR ET COMPAGNIE (FR) | 1996-08-27 | — | — | US | disclosed |