Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 5/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 SCHEMBL5051976 | 0.99 | CCR1 (0.41) | CCR1ADRA1AADRA1BADRB2ADRB1 | |
| SCHEMBL5048319 | 0.74 | IGF1R (0.49) | ADRB1MAPTALDH1A1LMNAMAPK1 | |
| SCHEMBL4501206 | 0.73 | NPSR1 (0.48) | CCR1MAPTALDH1A1LMNAKDM4E | |
| SCHEMBL4501202 | 0.73 | NPSR1 (0.48) | CCR1MAPTALDH1A1LMNAKDM4E | |
| Hydrochloric Acid SCHEMBL4502722 | 0.72 | NPSR1 (0.48) | CCR1MAPTALDH1A1LMNAKDM4E | |
| SCHEMBL3223360 | 0.70 | ALDH1A1 (0.47) | CCR1MAPTALDH1A1LMNAMAPK1 | |
| SCHEMBL4074344 | 0.70 | CCR1 (0.47) | CCR1MAPTALDH1A1LMNAMAPK1 | |
| SCHEMBL19175191 | 0.66 | CHRM1 (0.48) | MAPTKDM4EMEN1KMT2ACHRM5 | |
| SCHEMBL2874775 | 0.66 | HTR3A (0.60) | ADRB1MAPTLMNAHTR7HTR1A | |
| SCHEMBL3227831 | 0.65 | CCR1 (0.49) | CCR1MAPTKDM4EMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1973880-A1 | PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Brystol-Myers Squibb Company (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007087585-A1 | PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-08-02 | — | — | WO | disclosed |