Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2951616 | 0.75 | TSHR (0.65) | CYP2A6TSHRCYP1A2ALDH1A1HSD11B1 | |
| SCHEMBL29352216 | 0.75 | TSHR (0.65) | CYP2A6TSHRCYP1A2ALDH1A1HSD11B1 | |
| Lithium SCHEMBL30066819 | 0.73 | TSHR (0.62) | CYP2A6TSHRCYP1A2ALDH1A1HSD11B1 | |
| SCHEMBL1451563 | 0.72 | TSHR (0.60) | CYP2A6TSHRCYP1A2ALDH1A1HSD11B1 | |
| SCHEMBL6310662 | 0.69 | TSHR (0.56) | CYP2A6TSHRCYP1A2ALDH1A1HSD11B1 | |
| SCHEMBL7915042 | 0.67 | DHFR (0.54) | CYP2A6TSHRCYP1A2ALDH1A1HSD11B1 | |
| SCHEMBL8509086 | 0.67 | TSHR (0.54) | CYP2A6TSHRCYP1A2ALDH1A1HSD11B1 | |
| Ammonia Solution, Strong SCHEMBL27919131 | 0.67 | TSHR (0.54) | CYP2A6TSHRCYP1A2ALDH1A1HSD11B1 | |
| SCHEMBL5602065 | 0.67 | NPC1 (0.41) | TSHRCYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL12737099 | 0.67 | TSHR (0.54) | CYP2A6TSHRCYP1A2ALDH1A1HSD11B1 |
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-5246914-A | Fungicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-21 | — | — | US | disclosed |