Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.88 |
| ▸ | LMNA | P02545 | 3/20 | 0.88 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Pentane SCHEMBL5519010 | 1.00 | — | — | |
| Pentane SCHEMBL4248325 | 0.94 | — | — | |
| Pentane SCHEMBL9453163 | 0.94 | TSHR (1.00) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL9633320 | 0.94 | TSHR (1.00) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL9634178 | 0.94 | TSHR (1.00) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL323650 | 0.94 | TSHR (1.00) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL9633144 | 0.94 | TSHR (1.00) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL1234 | 0.94 | — | — | |
| Pentane SCHEMBL5070256 | 0.89 | TSHR (0.70) | TSHRLMNATHRBALDH1A1TDP1 | |
| Pentane SCHEMBL25431892 | 0.88 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5258179-A | Coenzyme Q, ascorbic acid and a phospholipid | NESTEC S.A. (CH) | 1993-11-02 | — | — | US | disclosed |