Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL43475 | 0.87 | ELANE (0.49) | CES2LMNAKMT2ACYP1A2TSHR | |
| Butane SCHEMBL1044282 | 0.87 | CES2 (0.46) | CES2LMNAKMT2ACYP1A2TSHR | |
| SCHEMBL5302718 | 0.85 | CES2 (0.47) | CES2LMNAKMT2ACYP1A2TSHR | |
| SCHEMBL720572 | 0.84 | KDM4E (0.55) | CES2LMNAKMT2ACYP1A2TSHR | |
| SCHEMBL991362 | 0.84 | TSHR (0.50) | CES2LMNAKMT2ACYP1A2TSHR | |
| SCHEMBL11425288 | 0.84 | KMT2A (0.50) | CES2LMNAKMT2ACYP1A2TSHR | |
| SCHEMBL9979219 | 0.82 | TSHR (0.49) | CES2LMNAKMT2ACYP1A2TSHR | |
| SCHEMBL6398525 | 0.82 | TSHR (0.49) | CES2LMNAKMT2ACYP1A2TSHR | |
| Hydrogen Peroxide SCHEMBL8008634 | 0.82 | KDM4E (0.58) | CES2LMNAKMT2ACYP1A2TSHR | |
| Isoprocarb SCHEMBL64155 | 0.81 | ALDH1A1 (0.65) | CES2KMT2ACYP1A2TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6005103-A | TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS | WARNER-LAMBERT COMPANY (US) | 1999-12-21 | — | — | US | disclosed |
| US-5808062-A | AIDS THERAPY | WARNER-LAMBERT COMPANY (US) | 1998-09-15 | — | — | US | disclosed |
| EP-0729466-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014014-A2 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | disclosed |