Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | CES1 | P23141 | 3/20 | 0.45 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL8517437 | 1.00 | TSHR (0.61) | TSHRTHRBLMNAALDH1A1MEN1 | |
| Octane SCHEMBL9403184 | 1.00 | TSHR (0.61) | TSHRTHRBLMNAALDH1A1MEN1 | |
| Hexane SCHEMBL7632619 | 0.96 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1MEN1 | |
| Pentane SCHEMBL9570503 | 0.88 | — | — | |
| Hexane SCHEMBL7454865 | 0.85 | TSHR (0.50) | TSHRTHRBLMNAALDH1A1MEN1 | |
| Decane SCHEMBL23142599 | 0.79 | TSHR (0.80) | TSHRTHRBLMNAALDH1A1MEN1 | |
| Undecane SCHEMBL8719356 | 0.79 | TSHR (0.80) | TSHRTHRBLMNAALDH1A1MEN1 | |
| Heptane SCHEMBL11234776 | 0.79 | TSHR (0.80) | TSHRTHRBLMNAALDH1A1MEN1 | |
| Hexadecane SCHEMBL324236 | 0.79 | TSHR (0.80) | TSHRTHRBLMNAALDH1A1MEN1 | |
| Butane SCHEMBL1735040 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998012284-A1 | METHOD OF SYNTHESIZING PURE ADDITIVES AND THE IMPROVED COMPOSITIONS THEREBY PRODUCED | PETROKLEEN, LTD. (US) | 1998-03-26 | — | — | WO | disclosed |
| US-5559270-A | GASOLINE ADDITIVES, REACTING POLYOLEFINIC HALIDES OR POLYETHER HALIDES WITH POLYAMINES | PETROKLEEN, LTD. (US) | 1996-09-24 | — | — | US | disclosed |