Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7294547 | 0.76 | KLK5 (0.48) | BCHECA12CA2CA7CA9 | |
| SCHEMBL6891376 | 0.76 | METAP2 (0.49) | ALDH1A1LMNA | |
| SCHEMBL22911682 | 0.75 | PKM (0.54) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL7292748 | 0.75 | PKM (0.54) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL4372922 | 0.75 | KLK5 (0.50) | BCHE | |
| SCHEMBL16476537 | 0.74 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL375857 | 0.74 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL9069308 | 0.73 | BCHE (0.51) | BCHE | |
| SCHEMBL9049029 | 0.73 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL29156290 | 0.73 | SIGMAR1 (0.54) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 |
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-2877474-A2 | A PROCESS FOR PREPARATION OF DARUNAVIR | Laurus Labs Private Limited (IN) | 2015-06-03 | — | — | EP | disclosed |
| WO-2014016660-A2 | A PROCESS FOR PREPARATION OF DARUNAVIR | LAURUS LABS PRIVATE LIMITED (IN) | 2014-01-30 | — | — | WO | disclosed |
| EP-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | disclosed |