Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.90 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL23672280 | 1.00 | — | — | |
| Isobutanol SCHEMBL11800894 | 0.95 | TSHR (1.00) | TSHRTDP1ALDH1A1LMNAL3MBTL1 | |
| Isobutanol SCHEMBL969 | 0.95 | — | — | |
| Isobutanol SCHEMBL175952 | 0.95 | TSHR (1.00) | TSHRTDP1ALDH1A1LMNAL3MBTL1 | |
| Isobutanol SCHEMBL60555 | 0.90 | — | — | |
| Isobutanol SCHEMBL1308019 | 0.90 | TSHR (0.90) | TSHRTDP1ALDH1A1LMNAL3MBTL1 | |
| Isobutanol SCHEMBL11366415 | 0.90 | — | — | |
| Isobutanol SCHEMBL8857429 | 0.90 | — | — | |
| Isobutanol SCHEMBL23887407 | 0.90 | — | — | |
| Isobutanol SCHEMBL2277484 | 0.90 | — | — |
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-5049669-A | Also diuretics | RHONE-POULENC SANTE (FR) | 1991-09-17 | — | — | US | disclosed |
| US-4985419-A | Analgesics, Diuretics | RHONE-POULENC SANTE (FR) | 1991-01-15 | — | — | US | disclosed |