Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.80 |
| ▸ | THRB | P10828 | 1/20 | 0.80 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL183681 | 1.00 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Tridecane SCHEMBL2861346 | 1.00 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Decane SCHEMBL27685924 | 1.00 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Ethylene SCHEMBL28070118 | 1.00 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Decane SCHEMBL2861344 | 1.00 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL10626541 | 1.00 | — | — | |
| Decane SCHEMBL8382473 | 1.00 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Dodecane SCHEMBL3194472 | 1.00 | TSHR (0.80) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Heptane SCHEMBL11445658 | 0.95 | TSHR (0.73) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Hexane SCHEMBL183946 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5731303-A | MACROCYCLIC COMPOUNDS ENHANCE DRUG ABSORPTION ACROSS BLOOD-BRAIN BARRIER | CONREX PHARMACEUTICAL CORPORATION (US) | 1998-03-24 | — | — | US | disclosed |
| US-5023252-A | Using heterocyclic oxygen, sulfur, or nitrogen containing compound | CONREX PHARMACEUTICAL CORPORATION (US) | 1991-06-11 | — | — | US | disclosed |