Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7871214 | 1.00 | CCR5 (0.55) | CCR5MEN1KMT2AATMCCR2 | |
| SCHEMBL7869725 | 0.91 | CCR5 (0.56) | CCR5MEN1KMT2ASLC18A3SIGMAR1 | |
| SCHEMBL7871891 | 0.91 | CCR5 (0.56) | CCR5MEN1KMT2ASLC18A3SIGMAR1 | |
| SCHEMBL7868194 | 0.91 | CCR5 (0.51) | CCR5CCR2SLC18A3SIGMAR1 | |
| SCHEMBL7868195 | 0.91 | CCR5 (0.51) | CCR5CCR2SLC18A3SIGMAR1 | |
| SCHEMBL7863249 | 0.88 | CCR5 (0.64) | CCR5MEN1KMT2AATMCCR2 | |
| SCHEMBL7863251 | 0.88 | CCR5 (0.64) | CCR5MEN1KMT2AATMCCR2 | |
| SCHEMBL7872008 | 0.88 | CCR5 (0.55) | CCR5MEN1KMT2ACCR2SLC18A3 | |
| SCHEMBL7874879 | 0.88 | CCR5 (0.55) | CCR5MEN1KMT2ACCR2SLC18A3 | |
| SCHEMBL7872009 | 0.88 | CCR5 (0.55) | CCR5MEN1KMT2ACCR2SLC18A3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |