Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CACNA2D1 | P54289 | 6/20 | 0.45 |
| ▸ | CACNB1 | Q02641 | 6/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.45 |
| ▸ | CACNA1G | O43497 | 4/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.45 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8538110 | 0.89 | TSHR (0.44) | TSHRCYP3A4PTGS1PTGS2CYP1A2 | |
| SCHEMBL7329145 | 0.87 | PTGS1 (0.50) | TSHRCYP3A4PTGS1PTGS2CYP1A2 | |
| SCHEMBL9690307 | 0.82 | PTGS1 (0.53) | TSHRCYP3A4PTGS1PTGS2CYP1A2 | |
| SCHEMBL9690165 | 0.81 | HRH1 (0.51) | TSHRCYP3A4CYP1A2CACNA2D1CACNB1 | |
| SCHEMBL8538821 | 0.80 | CACNA2D1 (0.41) | CYP3A4CACNA2D1CACNB1CACNA1BCACNA1G | |
| Hydrochloric Acid SCHEMBL7336927 | 0.78 | HRH1 (0.44) | TSHRCYP3A4LMNANPSR1CHRM2 | |
| SCHEMBL9690175 | 0.78 | TSHR (0.50) | TSHRCYP3A4PTGS1PTGS2CYP1A2 | |
| SCHEMBL9690459 | 0.78 | ACHE (0.51) | TSHRCYP3A4PTGS1PTGS2CYP1A2 | |
| SCHEMBL2059305 | 0.76 | PTGS1 (0.64) | TSHRCYP3A4PTGS1PTGS2CYP1A2 | |
| SCHEMBL8540688 | 0.76 | PTGS1 (0.45) | TSHRCYP3A4PTGS1PTGS2CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0487510-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1992-05-27 | — | — | EP | claimed |
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | claimed |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | claimed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | claimed |
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |