Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 5/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PAM | P19021 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL13535100 | 0.87 | MME (0.39) | CTRB1CA2PSMB1PSMB5PSMB2 | |
| SCHEMBL14599866 | 0.87 | MME (0.39) | CTRB1CA2PSMB1PSMB5PSMB2 | |
| SCHEMBL8947270 | 0.83 | ATM (0.57) | CTSSCTSK | |
| SCHEMBL2059402 | 0.83 | ATM (0.57) | CTSSCTSK | |
| SCHEMBL8481817 | 0.83 | ATM (0.57) | CTSSCTSK | |
| SCHEMBL3105737 | 0.79 | LTA4H (0.46) | — | |
| SCHEMBL8261273 | 0.79 | ADORA3 (0.52) | LMNAPSMB5CYP3A4 | |
| SCHEMBL8769730 | 0.79 | CTRB1 (0.49) | CTRB1CTSSCTSKLMNAPAM | |
| SCHEMBL9397618 | 0.79 | HPGD (0.49) | LMNAPSMB1PSMB5PSMB2 | |
| SCHEMBL892907 | 0.78 | CYP3A4 (0.44) | TACR1CYP3A4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019186522-A1 | AN IMPROVED PROCESS FOR PREPARATION OF LOPINAVIR AND ITS INTERMEDIATES THEREOF | LAURUS LABS LIMITED (IN) | 2019-10-03 | — | — | WO | disclosed |
| EP-0672649-B1 | Process for producing optically active diaminohexanone derivative | TAKASAGO PERFUMERY CO LTD (JP) | 1997-09-17 | — | — | EP | disclosed |
| US-5631397-A | MULTISTAGE REACTION USING CATALYTIC HYDROGEN REACTION IN PRESENCE OF METAL PHOSPHOROUS CATALYST | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1997-05-20 | — | — | US | disclosed |
| US-5523458-A | HYDROGENATION OF (2S)-2,5-DIAMINO-1,6-DIPHENYL-4-HEXENE-3-ONE USING TRANSITION METAL COMPOUNDS AS CATALYSTS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0672649-A1 | Process for producing optically active diaminohexanone derivative | Takasago International Corporation (JP) | 1995-09-20 | — | — | EP | disclosed |