Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.69 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | HTR1A | P08908 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | DRD1 | P21728 | 1/20 | 0.69 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.69 |
| ▸ | HTT | P42858 | 3/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12648664 | 0.88 | TDP1 (0.67) | TDP1CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL1587140 | 0.88 | CYP1A2 (0.67) | TDP1CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL1587314 | 0.88 | CYP1A2 (0.67) | TDP1CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL18908562 | 0.88 | CYP1A2 (0.71) | TDP1CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL10749123 | 0.88 | TDP1 (0.67) | TDP1CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL11527669 | 0.86 | LIPA (0.52) | TDP1CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL30673515 | 0.85 | CYP1A2 (0.67) | TDP1CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL13149011 | 0.85 | CYP1A2 (0.77) | TDP1CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL21505039 | 0.84 | CYP1A2 (0.69) | TDP1CYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL10983705 | 0.83 | CYP1A2 (0.74) | TDP1CYP1A2ADRB2ADRB1CYP3A4 |
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-4145550-A | 2-(4-Substituted-1,2,5-thiadiazole-3-yloxy)-acetaldehydes | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1979-03-20 | — | — | US | disclosed |
| US-4076939-A | 2-(4-Substituted-1,2,5-thiadiazole-3-yloxy)-acetaldehydes | MERCK SHARP & DOHME (I.A.) CORPORATION (US) | 1978-02-28 | — | — | US | disclosed |