Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL891188 | 1.00 | CA12 (0.43) | CA12CA1CA2CA9CYP19A1 | |
| SCHEMBL28956590 | 0.92 | CA12 (0.38) | CA12CA1CA2CA9CYP19A1 | |
| SCHEMBL28235723 | 0.90 | CYP19A1 (0.41) | CA12CA1CA2CA9CYP19A1 | |
| SCHEMBL13667079 | 0.85 | ALDH1A1 (0.37) | CA1CA2ALDH1A1GAAHSD17B10 | |
| SCHEMBL7218963 | 0.85 | BLM (0.38) | CA1CA2ALDH1A1LMNA | |
| SCHEMBL7219101 | 0.84 | CA12 (0.42) | CA12CA1CA2CA9CYP19A1 | |
| SCHEMBL10044202 | 0.84 | TSHR (0.38) | CA1CA2CYP19A1ALDH1A1HSD17B10 | |
| SCHEMBL7218815 | 0.84 | CA2 (0.45) | CA12CA1CA2CA9CYP19A1 | |
| SCHEMBL7223093 | 0.84 | NAAA (0.38) | — | |
| SCHEMBL7224119 | 0.84 | NAAA (0.38) | — |
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-5496580-A | ADDING ESTERS OF 2-METHYLBUTYRIC ACID | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1996-03-05 | — | — | US | disclosed |