Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | USP7 | Q93009 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL14685960 | 0.75 | MEN1 (0.43) | GABRA1GABRG2GABRB3SLC18A3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8463063 | 0.74 | HTR2C (0.43) | GABRA1GABRG2GABRB3SLC18A3SIGMAR1 | |
| SCHEMBL655460 | 0.73 | CYP17A1 (0.52) | GABRA1GABRG2GABRB3CHRNB2CHRNA4 | |
| SCHEMBL4520760 | 0.68 | SLC18A3 (0.48) | GABRA1GABRG2GABRB3HTR1ASLC6A2 | |
| SCHEMBL25363639 | 0.68 | PARP1 (0.54) | — | |
| SCHEMBL31208019 | 0.68 | PARP1 (0.54) | — | |
| SCHEMBL27969337 | 0.68 | BCHE (0.43) | GABRA1GABRG2GABRB3HTR1ASLC6A2 | |
| SCHEMBL30735991 | 0.68 | HTR1A (0.51) | HTR1ASLC6A2SLC6A4SLC6A3ADRB2 | |
| SCHEMBL19297190 | 0.68 | HTR1A (0.51) | HTR1ASLC6A2SLC6A4SLC6A3ADRB2 | |
| Hydrochloric Acid SCHEMBL5417427 | 0.67 | SLC18A3 (0.47) | GABRA1GABRG2GABRB3HTR1ASLC6A2 |
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-1448566-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045942-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2003-06-05 | — | — | WO | disclosed |