Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 SCHEMBL95579 | 1.00 | ALDH1A1 (0.57) | ALDH1A1TSHRTHRBTDP1LMNA | |
| Hexane SCHEMBL10428089 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRTHRBTDP1LMNA | |
| Heptane SCHEMBL114510 | 0.97 | TSHR (0.53) | ALDH1A1TSHRTHRBTDP1LMNA | |
| Pentane SCHEMBL1230691 | 0.93 | ALDH1A1 (0.57) | ALDH1A1TSHRTHRBTDP1LMNA | |
| Hexane SCHEMBL9152574 | 0.91 | ALDH1A1 (0.47) | ALDH1A1TSHRTHRBTDP1LMNA | |
| Hexane SCHEMBL27545868 | 0.91 | ALDH1A1 (0.47) | ALDH1A1TSHRTHRBTDP1LMNA | |
| Heptane SCHEMBL8040709 | 0.88 | TSHR (0.48) | ALDH1A1TSHRTHRBTDP1LMNA | |
| 1-Pentanol SCHEMBL3231040 | 0.86 | SMN1; SMN2 (0.63) | ALDH1A1TSHRTHRBTDP1LMNA | |
| Hexane SCHEMBL8597024 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TSHRTHRBTDP1LMNA | |
| Hexane SCHEMBL10705929 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1HSD17B10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0259977-A2 | Tertiary amine compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-03-16 | — | — | EP | disclosed |