Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28069851 | 0.80 | CA1 (0.56) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL9250189 | 0.77 | SIGMAR1 (0.63) | SIGMAR1 | |
| SCHEMBL29028639 | 0.76 | CA1 (0.48) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL7680743 | 0.74 | CA1 (0.55) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL9248916 | 0.73 | SIGMAR1 (0.65) | SIGMAR1 | |
| SCHEMBL9005283 | 0.72 | CA1 (0.56) | CA1CA2SIGMAR1CHRM2CHRM4 | |
| SCHEMBL7510096 | 0.71 | CA1 (0.55) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL10602964 | 0.71 | CA1 (0.58) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL15161143 | 0.71 | CA1 (0.55) | CA1CA2SIGMAR1TAS1R3TAS1R1 | |
| SCHEMBL1565397 | 0.71 | CA1 (0.58) | CA1CA2SIGMAR1TAS1R3TAS1R1 |
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-0647222-A1 | N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY | PHARMACIA & UPJOHN S.p.A. (IT) | 1995-04-12 | — | — | EP | disclosed |
| WO-1994000441-A1 | N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY | FARMITALIA CARLO ERBA S.R.L. (IT) | 1994-01-06 | — | — | WO | disclosed |