Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 6/20 | 0.46 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.44 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.44 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11229506 | 0.90 | ALDH1A1 (0.59) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| SCHEMBL11229269 | 0.88 | TSHR (0.42) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| SCHEMBL63468 | 0.80 | ALDH1A1 (0.67) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| Iodide SCHEMBL29093539 | 0.74 | ALDH1A1 (0.59) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| Bromide SCHEMBL29093544 | 0.74 | ALDH1A1 (0.59) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| SCHEMBL13410633 | 0.71 | KIF11 (0.78) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| SCHEMBL29914837 | 0.71 | KIF11 (0.78) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| SCHEMBL16626100 | 0.71 | ALDH1A1 (0.56) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| SCHEMBL197238 | 0.71 | KIF11 (0.78) | ALDH1A1TSHRKIF11TRPV6CES2 | |
| SCHEMBL11235512 | 0.71 | TSHR (0.48) | TSHR |
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-4339608-A | BUTANOL AND BUTANAL, COBALT, IODINE | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-07-13 | — | — | US | disclosed |