Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28322670 | 0.96 | TSHR (0.56) | TSHRALDH1A1THRBLMNASLC22A1 | |
| Hexane SCHEMBL2147506 | 0.96 | TSHR (0.56) | TSHRALDH1A1THRBLMNASLC22A1 | |
| Decane SCHEMBL4518816 | 0.92 | TSHR (0.61) | TSHRALDH1A1THRBLMNASLC22A1 | |
| Heptane SCHEMBL11697610 | 0.92 | TSHR (0.61) | TSHRALDH1A1THRBLMNASLC22A1 | |
| Octane SCHEMBL4515243 | 0.92 | TSHR (0.61) | TSHRALDH1A1THRBLMNASLC22A1 | |
| Dodecane SCHEMBL4530976 | 0.92 | TSHR (0.61) | TSHRALDH1A1THRBLMNASLC22A1 | |
| Pentane SCHEMBL8136471 | 0.88 | — | — | |
| Hexane SCHEMBL10533796 | 0.86 | TSHR (0.48) | TSHRALDH1A1THRBLMNASMN1; SMN2 | |
| Dodecane SCHEMBL3718337 | 0.83 | TSHR (0.52) | TSHRALDH1A1THRBLMNASMN1; SMN2 | |
| Butadiene SCHEMBL28906738 | 0.81 | TSHR (0.67) | TSHRALDH1A1THRBLMNASLC22A1 |
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-5300582-A | BUTADIENE-STYRENE COPOLYMER MODIFIED WITH TETRAFUNCTIONAL COUPLING AGENT; HIGH TEMPERATURE RESISTANCE, RADIATION SENSITIVE | SHELL OIL COMPANY (US) | 1994-04-05 | — | — | US | disclosed |