Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | LAP3 | P28838 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CDC25A | P30304 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7306681 | 0.84 | HTR2A (0.41) | SLC6A2SLC6A4SLC6A3SIGMAR1CYP2A6 | |
| SCHEMBL8531804 | 0.80 | HTT (0.41) | MEN1KMT2ACYP1A2MMP2 | |
| SCHEMBL27489574 | 0.75 | MEN1 (0.35) | MEN1KMT2ACYP24A1PTGES2SLC6A2 | |
| SCHEMBL27489575 | 0.75 | MEN1 (0.35) | MEN1KMT2ACYP24A1PTGES2SLC6A2 | |
| SCHEMBL7987728 | 0.73 | TAAR1 (0.43) | LAP3MEN1KMT2ACYP24A1PTGES2 | |
| SCHEMBL1988591 | 0.73 | HTT (0.35) | MEN1KMT2ACYP3A4MMP2 | |
| SCHEMBL3589541 | 0.72 | TAAR1 (0.47) | MEN1KMT2APTGES2SLC6A2TAAR1 | |
| SCHEMBL21378558 | 0.72 | TAAR1 (0.47) | MEN1KMT2APTGES2SLC6A2TAAR1 | |
| SCHEMBL22441312 | 0.72 | TAAR1 (0.47) | MEN1KMT2APTGES2SLC6A2TAAR1 | |
| SCHEMBL7306087 | 0.71 | CYP3A4 (0.38) | ANPEPCYP3A4 |
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-0575097-B1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | LILLY CO ELI (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5578608-A | HIV PROTEASE INHIBITOR | ELI LILLY AND COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| EP-0652009-A1 | Identification and use of protease inhibitors | ELI LILLY AND COMPANY (US) | 1995-05-10 | — | — | EP | disclosed |
| EP-0575097-A1 | 2,3-Bis-carboxamidomethyl substituted oxiranes as inhibitors of HIV protease and their use for the treatment of AIDS | ELI LILLY AND COMPANY (US) | 1993-12-22 | — | — | EP | disclosed |