Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5083782 | 0.88 | ATM (0.55) | ABL1RIN1ACHEATMSIGMAR1 | |
| Bromide SCHEMBL3141631 | 0.87 | ATM (0.54) | ABL1RIN1ACHEATMOPRM1 | |
| SCHEMBL5077966 | 0.85 | KDM4E (0.53) | ABL1RIN1SIGMAR1TSHR | |
| SCHEMBL7498361 | 0.82 | ABL1 (0.51) | ABL1RIN1ACHEATMOPRM1 | |
| SCHEMBL7810400 | 0.81 | ABL1 (0.56) | ABL1RIN1ACHEOPRM1SIGMAR1 | |
| SCHEMBL9169763 | 0.81 | CHRM4 (0.55) | ABL1RIN1ACHESIGMAR1MEN1 | |
| SCHEMBL4013265 | 0.80 | ACKR3 (0.45) | ABL1RIN1ACHESIGMAR1 | |
| SCHEMBL4287276 | 0.79 | MCHR1 (0.41) | ABL1RIN1ACHEOPRM1SIGMAR1 | |
| SCHEMBL1727229 | 0.79 | BACE1 (0.65) | ACHESIGMAR1BACE1 | |
| Hydrochloric Acid SCHEMBL3156656 | 0.78 | ABL1 (0.56) | ABL1RIN1ACHEOPRM1SIGMAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3143005-A1 | CHEMOKINE CXCR4 AND CCR5 RECEPTOR MODULATORS AND USED RELATED THERETO | Emory University (US) | 2017-03-22 | — | — | EP | disclosed |
| WO-2015175855-A1 | CHEMOKINE CXCR4 AND CCR5 RECEPTOR MODULATORS AND USED RELATED THERETO | EMORY UNIVERSITY (US) | 2015-11-19 | — | — | WO | disclosed |
| EP-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | 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 |