Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | ANPEP | P15144 | 5/20 | 0.48 |
| ▸ | CTSC | P53634 | 4/20 | 0.47 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.47 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | LAP3 | P28838 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11412673 | 1.00 | EPHX1 (0.48) | EPHX1ANPEPCTSCSLC15A1CSNK1E | |
| SCHEMBL11412914 | 0.85 | LTA4H (0.62) | PTGS1SLC6A2MAOASLC6A3LAP3 | |
| SCHEMBL11424125 | 0.83 | ESR1 (0.53) | SLC7A5SLC6A2TAAR1 | |
| SCHEMBL11407228 | 0.83 | ESR1 (0.53) | SLC7A5SLC6A2TAAR1 | |
| SCHEMBL11411311 | 0.81 | DPP4 (0.40) | ANPEPCTSCSLC6A2TAAR1CYP2A6 | |
| SCHEMBL11407482 | 0.81 | SLC6A4 (0.52) | CTSCSLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL11025286 | 0.81 | SLC15A1 (0.51) | EPHX1ANPEPSLC15A1CSNK1EALPI | |
| SCHEMBL6580781 | 0.81 | SLC15A1 (0.51) | EPHX1ANPEPSLC15A1CSNK1EALPI | |
| SCHEMBL6243841 | 0.81 | SLC15A1 (0.51) | EPHX1ANPEPSLC15A1CSNK1EALPI | |
| SCHEMBL10431094 | 0.78 | CSNK1E (0.51) | EPHX1ANPEPCTSCSLC15A1CSNK1E |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1188106-A | Process for preparation of 3-amino-2-hydroxy-4-phenylbutyronitrile derivatives | KURARAY CO (JP) | 1998-07-22 | — | — | CN | claimed |
| EP-0849257-A1 | Process for the preparation of 3-amino-2-hydroxy-4-phenylbutyronitrile derivatives | KURARAY CO., LTD. (JP) | 1998-06-24 | — | — | EP | claimed |
| US-5834618-A | CHEMICAL INTERMEDIATE FOR PROTEASE INHIBITOR DRUG | KURARAY CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| US-5834618-A | CHEMICAL INTERMEDIATE FOR PROTEASE INHIBITOR DRUG | KURARAY CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| US-5834618-A | CHEMICAL INTERMEDIATE FOR PROTEASE INHIBITOR DRUG | KURARAY CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| CN-1188106-A | Process for preparation of 3-amino-2-hydroxy-4-phenylbutyronitrile derivatives | KURARAY CO (JP) | 1998-07-22 | — | — | CN | disclosed |
| CN-1188106-A | Process for preparation of 3-amino-2-hydroxy-4-phenylbutyronitrile derivatives | KURARAY CO (JP) | 1998-07-22 | — | — | CN | disclosed |
| CN-1188106-A | Process for preparation of 3-amino-2-hydroxy-4-phenylbutyronitrile derivatives | KURARAY CO (JP) | 1998-07-22 | — | — | CN | disclosed |
| EP-0849257-A1 | Process for the preparation of 3-amino-2-hydroxy-4-phenylbutyronitrile derivatives | KURARAY CO., LTD. (JP) | 1998-06-24 | — | — | EP | disclosed |
| EP-0849257-A1 | Process for the preparation of 3-amino-2-hydroxy-4-phenylbutyronitrile derivatives | KURARAY CO., LTD. (JP) | 1998-06-24 | — | — | EP | disclosed |
| EP-0849257-A1 | Process for the preparation of 3-amino-2-hydroxy-4-phenylbutyronitrile derivatives | KURARAY CO., LTD. (JP) | 1998-06-24 | — | — | EP | disclosed |
| US-4240975-A | USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1980-12-23 | — | — | US | disclosed |
| US-4189604-A | PEPTIDASE ENZYME INHIBITORS | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1980-02-19 | — | — | US | disclosed |