Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3805545 | 0.74 | CA1 (0.38) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL7953864 | 0.68 | ALDH1A1 (0.47) | CYP3A4ALDH1A1 | |
| SCHEMBL2101809 | 0.66 | CYP3A4 (0.50) | CYP3A4ALDH1A1THRBTSHR | |
| SCHEMBL10509085 | 0.65 | SLC6A2 (0.44) | CYP3A4ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL2103697 | 0.65 | CYP3A4 (0.48) | CYP3A4ALDH1A1THRBTSHR | |
| Hydrochloric Acid SCHEMBL2103696 | 0.63 | CYP3A4 (0.46) | CYP3A4ALDH1A1THRBTSHR | |
| SCHEMBL4786951 | 0.63 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL23260119 | 0.62 | CYP3A4 (0.50) | CYP3A4ALDH1A1THRBTSHR | |
| SCHEMBL292270 | 0.62 | CYP3A4 (1.00) | CYP3A4ALDH1A1THRBTSHR | |
| SCHEMBL10946042 | 0.61 | GAA (0.48) | CYP3A4ALDH1A1THRBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-61083148-A | — | — | None | — | — | JP | disclosed |
| JP-S6183148-A | 3-PROPYNYLOXYANILINE AND ITS PREPARATION | NIPPON SODA CO LTD | 1986-04-26 | — | — | JP | disclosed |