Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL331465 | 0.67 | — | — | |
| SCHEMBL7592494 | 0.67 | — | — | |
| SCHEMBL17958831 | 0.65 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL3026366 | 0.57 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL6896488 | 0.57 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1 | |
| Tert-Butyl Hydroperoxide SCHEMBL10352877 | 0.57 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1 | |
| Tert-Butyl Hydroperoxide SCHEMBL11312020 | 0.57 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL3198636 | 0.57 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1 | |
| Tert-Butyl Hydroperoxide SCHEMBL20163 | 0.57 | — | — | |
| SCHEMBL503396 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114105860-A | Catalytic asymmetric synthesis method and application of chiral oxindole spiro-analogue | 重庆大学 | 2022-03-01 | — | — | CN | disclosed |
| EP-2595630-A1 | USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING PULMONARY HYPERTENSION | Gilead Sciences, Inc. (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012003220-A1 | USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING PULMONARY HYPERTENSION | GILEAD SCIENCES, INC. (US) | 2012-01-05 | — | — | WO | disclosed |