Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11091141 | 0.82 | ALDH1A1 (0.41) | ALDH1A1PKMIDO1CES2CES1 | |
| SCHEMBL9849304 | 0.81 | RXFP1 (0.49) | ALDH1A1PKMIDO1POLB | |
| SCHEMBL20448478 | 0.78 | IDO1 (0.44) | ALDH1A1IDO1POLBMEN1KMT2A | |
| SCHEMBL6955752 | 0.78 | TSHR (0.41) | ALDH1A1PKMCES2CES1HSD17B10 | |
| SCHEMBL28130891 | 0.77 | POLB (0.67) | ALDH1A1PKMIDO1POLBHSD17B10 | |
| SCHEMBL6955616 | 0.76 | POLB (0.41) | POLBRAB9ASLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7371155 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HSD17B10MEN1KMT2AHPGD | |
| SCHEMBL28131637 | 0.74 | IDO1 (0.40) | ALDH1A1PKMIDO1CES2CES1 | |
| SCHEMBL20563537 | 0.74 | IDO1 (0.41) | ALDH1A1IDO1POLBMEN1KMT2A | |
| SCHEMBL6950806 | 0.73 | LMNA (0.41) | ALDH1A1POLBGAACYP2C19KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0729465-B1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & CO (US) | 2003-01-22 | — | — | EP | disclosed |
| 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 |