Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.66 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.66 |
| ▸ | HTR1A | P08908 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | DRD1 | P21728 | 1/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28346348 | 0.88 | CYP1A2 (0.72) | ADRB2ADRB1HTR1ACYP2D6ADRB3 | |
| SCHEMBL21688489 | 0.88 | CYP1A2 (0.72) | ADRB2ADRB1HTR1ACYP2D6ADRB3 | |
| SCHEMBL13412863 | 0.88 | CYP1A2 (0.72) | ADRB2ADRB1HTR1ACYP2D6ADRB3 | |
| SCHEMBL20511605 | 0.88 | CYP1A2 (0.72) | ADRB2ADRB1HTR1ACYP2D6ADRB3 | |
| SCHEMBL20511606 | 0.88 | CYP1A2 (0.72) | ADRB2ADRB1HTR1ACYP2D6ADRB3 | |
| SCHEMBL13954134 | 0.87 | CYP1A2 (0.57) | ADRB2ADRB1HTR1ACYP2D6ADRB3 | |
| SCHEMBL14570463 | 0.87 | CYP1A2 (0.56) | ADRB2ADRB1HTR1ACYP2D6ADRB3 | |
| SCHEMBL13953977 | 0.86 | ADRB2 (0.54) | ADRB2ADRB1HTR1ACYP2D6ADRB3 | |
| Timolol SCHEMBL11406165 | 0.86 | ADRB2 (0.80) | ADRB2ADRB1HTR1ACYP2D6ADRB3 | |
| SCHEMBL20511560 | 0.86 | CYP1A2 (0.67) | ADRB2ADRB1HTR1ACYP2D6ADRB3 |
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-4238485-A | 1,2,5-THIADIAZOLE DERIVATIVE, THIAZIDE DIURETIC, HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1980-12-09 | — | — | US | disclosed |
| US-4178374-A | SUBSTITUTED 1,2,5-THIADIAZOLE B-ADRENERGIC BLOCKING AGENT, PYRAZINE AND/OR THIAZIDE DIURETIC, TREATMENT OF HYPERTENSION | MERCK & CO., INC. (US) | 1979-12-11 | — | — | US | disclosed |