Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CTSC | P53634 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5872219 | 1.00 | TSHR (0.44) | TSHRGAANPBWR1KMT2ANPSR1 | |
| SCHEMBL5871859 | 1.00 | TSHR (0.44) | TSHRGAANPBWR1KMT2ANPSR1 | |
| SCHEMBL4369852 | 0.85 | TSHR (0.43) | TSHRGAANPBWR1KMT2ANPSR1 | |
| SCHEMBL4374565 | 0.83 | TSHR (0.41) | TSHRGAANPBWR1KMT2ANPSR1 | |
| SCHEMBL4373305 | 0.83 | TSHR (0.41) | TSHRGAANPBWR1KMT2ANPSR1 | |
| SCHEMBL28623788 | 0.78 | TSHR (0.45) | TSHRGAANPBWR1KMT2ANPSR1 | |
| SCHEMBL17275467 | 0.78 | TSHR (0.45) | TSHRGAANPBWR1KMT2ANPSR1 | |
| SCHEMBL9328423 | 0.77 | SIGMAR1 (0.50) | TSHRKMT2AALDH1A1SIGMAR1OPRK1 | |
| SCHEMBL7457261 | 0.77 | SIGMAR1 (0.42) | TSHRGAANPBWR1KMT2ANPSR1 | |
| SCHEMBL5168408 | 0.75 | SIGMAR1 (0.41) | TSHRGAANPBWR1KMT2ANPSR1 |
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-0827507-B1 | PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES | BOEHRINGER INGELHEIM CA LTD (CA) | 1999-06-16 | — | — | EP | disclosed |
| US-5834618-A | CHEMICAL INTERMEDIATE FOR PROTEASE INHIBITOR DRUG | KURARAY CO., LTD. (JP) | 1998-11-10 | — | — | US | 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-5545640-A | VIRICIDES, HIV; AIDS | BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) | 1996-08-13 | — | — | US | disclosed |