Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.68 |
| ▸ | HTR1A | P08908 | 1/20 | 0.68 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.68 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.68 |
| ▸ | DRD1 | P21728 | 1/20 | 0.68 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.68 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.68 |
| ▸ | DRD3 | P35462 | 1/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.48 |
| ▸ | HTR1E | P28566 | 2/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28622583 | 0.89 | SLC6A2 (0.69) | SLC6A2SLC6A3LMNACYP3A4CHRM2 | |
| SCHEMBL28622638 | 0.87 | SLC6A3 (0.67) | SLC6A2SLC6A3LMNACYP3A4CHRM2 | |
| SCHEMBL28619401 | 0.86 | SLC6A2 (0.66) | SLC6A2SLC6A3LMNACYP3A4CHRM2 | |
| SCHEMBL28636471 | 0.86 | SLC6A2 (0.66) | SLC6A2SLC6A3LMNACYP3A4CHRM2 | |
| SCHEMBL28637337 | 0.86 | SLC6A2 (0.66) | SLC6A2SLC6A3LMNACYP3A4CHRM2 | |
| SCHEMBL28632940 | 0.85 | SLC6A2 (0.67) | SLC6A2SLC6A3LMNACYP3A4CHRM2 | |
| SCHEMBL10955574 | 0.84 | SLC6A2 (0.70) | SLC6A2SLC6A3LMNACYP3A4CHRM2 | |
| SCHEMBL28623956 | 0.83 | SLC6A3 (0.65) | SLC6A2SLC6A3LMNACYP3A4CHRM2 | |
| SCHEMBL4245494 | 0.81 | SLC6A3 (0.61) | SLC6A2SLC6A3LMNACYP3A4CHRM2 | |
| Drofenine SCHEMBL25124 | 0.81 | CHRM2 (1.00) | SLC6A2SLC6A3LMNACYP3A4CHRM2 |
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-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1173170-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1173170-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-23 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |