Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR4 | P46093 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | DOCK5 | Q9H7D0 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7972419 | 0.99 | GPR4 (0.40) | GPR4KCNH2CHRNB2CHRNA4HDAC3 | |
| SCHEMBL7492020 | 0.80 | SLC6A4 (0.50) | GPR4KCNH2HDAC1HDAC8OPRM1 | |
| Hydrochloric Acid SCHEMBL7973499 | 0.79 | SLC6A4 (0.49) | GPR4KCNH2HDAC1HDAC8OPRM1 | |
| SCHEMBL5175182 | 0.76 | OPRM1 (0.56) | GPR4KCNH2HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL7984412 | 0.75 | OPRM1 (0.55) | GPR4KCNH2HDAC3HDAC4HDAC1 | |
| SCHEMBL11597016 | 0.74 | CYP1A2 (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7500200 | 0.74 | HRH3 (0.44) | KCNH2CHRNB2CHRNA4DHODHKDM1A | |
| Hydrochloric Acid SCHEMBL5764627 | 0.73 | HRH3 (0.43) | KCNH2CHRNB2CHRNA4DHODHKDM1A | |
| SCHEMBL272057 | 0.73 | ALDH1A1 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3396692 | 0.72 | CYP1A2 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-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 |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |