Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19259350 | 1.00 | EPHX1 (0.31) | EPHX1GSTP1ATMTAS1R3TAS1R1 | |
| SCHEMBL19275519 | 1.00 | EPHX1 (0.31) | EPHX1GSTP1ATMTAS1R3TAS1R1 | |
| SCHEMBL19275488 | 1.00 | EPHX1 (0.31) | EPHX1GSTP1ATMTAS1R3TAS1R1 | |
| SCHEMBL19275693 | 0.92 | ALDH1A1 (0.34) | ATM | |
| SCHEMBL19259394 | 0.92 | ALDH1A1 (0.34) | ATM | |
| SCHEMBL19275696 | 0.92 | ALDH1A1 (0.34) | ATM | |
| SCHEMBL19259357 | 0.92 | ALDH1A1 (0.34) | ATM | |
| SCHEMBL19259360 | 0.85 | — | — | |
| SCHEMBL19275694 | 0.85 | — | — | |
| SCHEMBL10537678 | 0.83 | HCAR2 (0.48) | EPHX1ATMTAS1R3TAS1R1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3416943-A1 | ORGANIC COMPOUNDS | Givaudan SA (CH) | 2018-12-26 | — | — | EP | disclosed |
| WO-2017140733-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2017-08-24 | — | — | WO | disclosed |