Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11806905 | 0.76 | ABCB1 (0.51) | ABCB1TSHR | |
| SCHEMBL14076211 | 0.75 | LMNA (0.55) | HTR1AHTR2AHRH1CHRM1ADRA1A | |
| SCHEMBL11337004 | 0.75 | ABCB1 (0.53) | ABCB1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL8220954 | 0.73 | HTR7 (0.46) | ADRA2AADRA2BADRA2CSMN1; SMN2TDP1 | |
| SCHEMBL8225836 | 0.72 | HTR7 (0.44) | ABCB1ADRA2AADRA2BADRA2CSMN1; SMN2 | |
| SCHEMBL8311613 | 0.70 | HTR1B (0.60) | HRH1 | |
| SCHEMBL8311617 | 0.70 | HTR1B (0.60) | HRH1 | |
| SCHEMBL6930038 | 0.68 | ALDH1A1 (0.61) | CYP2D6HSD17B10GAATDP1 | |
| SCHEMBL11342597 | 0.68 | TSHR (0.56) | ABCB1CHRM2ADRA2ASLC6A3LMNA | |
| Bromide SCHEMBL11618683 | 0.67 | PTGDR2 (0.51) | HTR1ATBXA2R |
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-0958294-A1 | 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART | EGIS GYOGYSZERGYAR (HU) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998030561-A1 | 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART | EGIS Gyógyszergyár Rt. (HU) | 1998-07-16 | — | — | WO | disclosed |