Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 2/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR1E | P28566 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8578417 | 0.78 | AKR1C2 (0.55) | AKR1C2HTR1DHTR6MTNR1AMTNR1B | |
| SCHEMBL5116957 | 0.77 | AKR1C2 (0.58) | AKR1C2HTR1DHTR6MTNR1AMTNR1B | |
| Tert-Butanol SCHEMBL8796522 | 0.74 | AKR1C2 (0.67) | AKR1C2HTR1DHTR6MTNR1AMTNR1B | |
| SCHEMBL11488805 | 0.74 | HTR6 (0.58) | AKR1C2HTR1DHTR6MTNR1AMTNR1B | |
| SCHEMBL31676640 | 0.73 | AKR1C2 (0.70) | AKR1C2HTR1DHTR6MTNR1AMTNR1B | |
| SCHEMBL8578419 | 0.73 | TRPV1 (0.51) | AKR1C2HTR1DHTR6MTNR1AMTNR1B | |
| SCHEMBL8681641 | 0.73 | AKR1C2 (0.70) | AKR1C2HTR1DHTR6MTNR1AMTNR1B | |
| SCHEMBL4241544 | 0.71 | MTNR1B (0.73) | AKR1C2HTR1DHTR6MTNR1AMTNR1B | |
| SCHEMBL9267967 | 0.70 | HTR1D (0.62) | AKR1C2HTR1DHTR6MTNR1AMTNR1B | |
| SCHEMBL5110673 | 0.69 | ALDH1A1 (0.61) | AKR1C2HTR1DHTR6MTNR1AMTNR1B |
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-0723442-A4 | LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS | CELL PATHWAYS INC (US) | 1997-06-11 | — | — | EP | disclosed |
| EP-0723442-A1 | LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS | CELL PATHWAYS, INC. (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1996003987-A1 | LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS | CELL PATHWAYS, INC. (US) | 1996-02-15 | — | — | WO | disclosed |