Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9869213 | 0.88 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9308690 | 0.86 | TSHR (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9869721 | 0.82 | TSHR (0.50) | TSHRCYP1A2MAOBALDH1A1NPC1 | |
| SCHEMBL9308330 | 0.79 | TSHR (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9870267 | 0.78 | KDM4E (0.40) | TSHRKDM4EHSD17B10CYP1A2ALDH1A1 | |
| SCHEMBL6306356 | 0.76 | TSHR (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL24834467 | 0.73 | KDM4E (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1680342 | 0.72 | ALDH1A1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9784691 | 0.72 | KDM4E (0.55) | TSHRKDM4EHSD17B10ALDH1A1NPC1 | |
| SCHEMBL24834857 | 0.72 | TSHR (0.45) | CA12CA1CA2CA7CA9 |
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-4997947-A | Forming 6-substituted pyridine-2,3-dicarboxylic esters followed by reacting with aminoalkanecarboxylic acid amide; herbicides, plant growth regulators | CIBA-GEIGY CORPORATION (US) | 1991-03-05 | — | — | US | disclosed |