Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 14/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | ADH1A | P07327 | 2/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10324987 | 0.98 | CYP1A2 (0.54) | CYP1A2DRD2DRD3BCHESIGMAR1 | |
| SCHEMBL10041305 | 0.95 | DRD2 (0.47) | CYP1A2DRD2DRD3BCHESIGMAR1 | |
| SCHEMBL10325139 | 0.86 | CYP1A2 (0.58) | CYP1A2BCHESIGMAR1ACHE | |
| SCHEMBL10324338 | 0.86 | CYP1A2 (0.58) | CYP1A2DRD2DRD3BCHESIGMAR1 | |
| SCHEMBL27365543 | 0.86 | DRD2 (0.41) | CYP1A2DRD2DRD3BCHESIGMAR1 | |
| SCHEMBL4370598 | 0.85 | SIGMAR1 (0.48) | CYP1A2BCHESIGMAR1ACHE | |
| SCHEMBL10324859 | 0.85 | SIGMAR1 (0.57) | CYP1A2DRD2DRD3BCHESIGMAR1 | |
| SCHEMBL10325385 | 0.85 | CYP1A2 (0.61) | CYP1A2BCHESIGMAR1ACHE | |
| SCHEMBL10325157 | 0.85 | CYP1A2 (0.61) | CYP1A2BCHESIGMAR1ACHE | |
| SCHEMBL12319143 | 0.84 | CYP1A2 (0.45) | CYP1A2DRD2DRD3BCHESIGMAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2663400-A1 | PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF | W. R. Grace & Co.-Conn (US) | 2013-11-20 | — | — | EP | claimed |
| WO-2012097146-A1 | PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF | W. R. GRACE & CO.-CONN. (US) | 2012-07-19 | — | — | WO | claimed |
| EP-2663400-A1 | PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF | W. R. Grace & Co.-Conn (US) | 2013-11-20 | — | — | EP | disclosed |
| WO-2012097146-A1 | PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF | W. R. GRACE & CO.-CONN. (US) | 2012-07-19 | — | — | WO | disclosed |