Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9457732 | 0.81 | ALDH1A1 (0.36) | ALDH1A1THRBRECQLTSHRCYP2C19 | |
| SCHEMBL30170231 | 0.77 | — | — | |
| SCHEMBL11290734 | 0.77 | ALDH1A1 (0.44) | ALDH1A1THRBRECQLTSHRCYP2C19 | |
| SCHEMBL45523 | 0.77 | — | — | |
| SCHEMBL11680928 | 0.76 | ALDH1A1 (0.38) | ALDH1A1THRBRECQLTSHRCYP2C19 | |
| SCHEMBL27971731 | 0.75 | ALDH1A1 (0.33) | ALDH1A1TSHRMAPTPTGS1 | |
| Isobutane SCHEMBL27971733 | 0.75 | ALDH1A1 (0.32) | ALDH1A1TSHR | |
| SCHEMBL11095231 | 0.74 | — | — | |
| SCHEMBL6380221 | 0.74 | ALDH1A1 (0.42) | ALDH1A1THRBRECQLTSHRCYP2C19 | |
| SCHEMBL10004774 | 0.74 | ALDH1A1 (0.40) | ALDH1A1THRBRECQLTSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |