Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CRHBP | P24387 | 2/20 | 0.58 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.49 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5228413 | 0.88 | OPRK1 (0.57) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL7852374 | 0.86 | MAPK1 (0.62) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL7809505 | 0.84 | ALDH1A1 (0.68) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL24447814 | 0.84 | MAPK1 (0.59) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL11990423 | 0.84 | MAPK1 (0.59) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10374041 | 0.81 | MAPK1 (0.54) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10372456 | 0.81 | MAPK1 (0.54) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL12642719 | 0.81 | OPRK1 (0.54) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL9893059 | 0.81 | MAPK1 (0.56) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL13215732 | 0.81 | ALDH1A1 (0.57) | MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6489354-B1 | IN PARTICULAR, THESE COMPOUNDS ARE USEFUL AS MODULATORS OF THE CHEMOKINE RECEPTORS CCR-3 AND/OR CCR-5 USEFUL IN THE TREATMENT AND PREVENTION OF ATOPIC CONDITIONS INCLUDING ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, AND ASTHMA | MERCK & CO., INC. | 2002-12-03 | — | — | US | disclosed |
| US-6372764-B1 | ANTIINFLAMMATORY AGENTS AND AIDS TREATMENT | MERCK & CO., INC. | 2002-04-16 | — | — | US | disclosed |
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |
| US-6303593-B1 | FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-10-16 | — | — | US | disclosed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051610-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051609-A1 | 3-ALKYL SUBSTITUTED PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |