Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC15A1 | P46059 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7418519 | 1.00 | SLC15A1 (0.42) | SLC15A1EPHX1CSNK1ECPA1ALPI | |
| SCHEMBL7415350 | 0.83 | CYP1A2 (0.41) | — | |
| SCHEMBL7415353 | 0.83 | CYP1A2 (0.41) | — | |
| SCHEMBL27345872 | 0.83 | SLC15A1 (0.44) | SLC15A1EPHX1CSNK1ECPA1ALPI | |
| SCHEMBL10622532 | 0.81 | EPHX1 (0.48) | SLC15A1EPHX1CSNK1EALPIPKM | |
| SCHEMBL6556276 | 0.81 | EPHX1 (0.48) | SLC15A1EPHX1CSNK1EALPIPKM | |
| Hydrochloric Acid SCHEMBL5711578 | 0.80 | EPHX1 (0.47) | SLC15A1EPHX1CSNK1EALPIPKM | |
| SCHEMBL9105563 | 0.78 | SLC15A1 (0.40) | SLC15A1EPHX1CSNK1ECPA1ALPI | |
| SCHEMBL7275924 | 0.77 | KDM4E (0.49) | SLC15A1EPHX1CSNK1EALPIPKM | |
| SCHEMBL7337442 | 0.77 | KDM4E (0.49) | SLC15A1EPHX1CSNK1EALPIPKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5256677-A | Enzyme inhibitor for treating acquired immune deficiency syndrome | ABBOTT LABORATORIES (US) | 1993-10-26 | — | — | US | disclosed |
| WO-1992017176-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1992-10-15 | — | — | WO | disclosed |
| US-5151438-A | Enzyme inhibitors for treatment of aids | ABBOTT LABORATORIES (US) | 1992-09-29 | — | — | US | disclosed |