Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL398717 | 1.00 | TSHR (0.56) | TSHRALDH1A1THRBTDP1SMN1; SMN2 | |
| Hexane SCHEMBL7540084 | 1.00 | TSHR (0.56) | TSHRALDH1A1THRBTDP1SMN1; SMN2 | |
| Hexane SCHEMBL7995860 | 1.00 | TSHR (0.56) | TSHRALDH1A1THRBTDP1SMN1; SMN2 | |
| Hexane SCHEMBL2394206 | 0.96 | TSHR (0.53) | TSHRALDH1A1THRBTDP1SMN1; SMN2 | |
| Hexane SCHEMBL27549779 | 0.96 | TSHR (0.53) | TSHRALDH1A1THRBTDP1SMN1; SMN2 | |
| Heptane SCHEMBL3404480 | 0.96 | TSHR (0.62) | TSHRALDH1A1THRBTDP1SMN1; SMN2 | |
| Heptane SCHEMBL10683139 | 0.93 | TSHR (0.59) | TSHRALDH1A1THRBTDP1SMN1; SMN2 | |
| Hexane SCHEMBL9425560 | 0.93 | SMN1; SMN2 (0.53) | TSHRALDH1A1THRBTDP1SMN1; SMN2 | |
| Pentane SCHEMBL2454203 | 0.92 | TSHR (0.58) | TSHRALDH1A1THRBTDP1SMN1; SMN2 | |
| Hexane SCHEMBL7176518 | 0.91 | TSHR (0.64) | TSHRALDH1A1THRBTDP1SMN1; SMN2 |
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-5328929-A | Extracts from marine sponges useful as anticancer agents, macrocyclic lactones | ARIZONA BOARD OF REGENTS (US) | 1994-07-12 | — | — | US | disclosed |