Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL295692 | 0.91 | TSHR (0.47) | TSHRTHRBLMNAOPRM1SMN1; SMN2 | |
| Hexane SCHEMBL5781731 | 0.91 | TSHR (0.47) | TSHRTHRBLMNAOPRM1SMN1; SMN2 | |
| Hexane SCHEMBL7374893 | 0.91 | TSHR (0.47) | TSHRTHRBLMNAOPRM1SMN1; SMN2 | |
| Octane SCHEMBL9190082 | 0.88 | TSHR (0.53) | TSHRTHRBLMNAOPRM1KMT2A | |
| Heptane SCHEMBL7498469 | 0.88 | TSHR (0.53) | TSHRTHRBLMNAOPRM1KMT2A | |
| Heptane SCHEMBL788860 | 0.88 | TSHR (0.53) | TSHRTHRBLMNAOPRM1KMT2A | |
| Pentane SCHEMBL518171 | 0.84 | TSHR (0.50) | TSHRTHRBLMNAOPRM1 | |
| Toluene SCHEMBL27572685 | 0.84 | TSHR (0.46) | TSHRLMNAACHEKMT2AALOX12 | |
| Hexane SCHEMBL2125827 | 0.82 | TSHR (0.39) | TSHRTHRBLMNAOPRM1 | |
| Hexane SCHEMBL9455882 | 0.82 | TSHR (0.43) | TSHRTHRBLMNAOPRM1PLA2G1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0369145-B1 | Pyrrolo[3,2-e]pyrazolo[1,5-a]pyrimidine derivatives and medicines comprising the same | POLA CHEM IND INC (JP) | 1995-12-27 | — | — | EP | disclosed |
| US-4992442-A | Bronchodilator agents | POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) | 1991-02-12 | — | — | US | disclosed |
| EP-0369145-A2 | Pyrrolo[3,2-e]pyrazolo[1,5-a]pyrimidine derivatives and medicines comprising the same | POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) | 1990-05-23 | — | — | EP | disclosed |