Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27699541 | 0.91 | BRD4 (0.52) | KDRALDH1A1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL5515047 | 0.89 | CA12 (0.56) | CA12CA1CA2CA9PTGDR | |
| Tert-Butyl Formate SCHEMBL27699535 | 0.88 | BRD4 (0.52) | TSHRLMNAGAAHTTMEN1 | |
| Tert-Butyl Formate SCHEMBL28781896 | 0.87 | BRD4 (0.41) | CA12CA1CA2CA9TSHR | |
| Tert-Butyl Formate SCHEMBL27720211 | 0.87 | ALDH1A1 (0.44) | CA12CA1CA2CA9KDR | |
| Tert-Butyl Formate SCHEMBL28778037 | 0.87 | BRD4 (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27720068 | 0.87 | BRD4 (0.38) | PTGDRKDRALDH1A1TSHRKDM4E | |
| SCHEMBL5517118 | 0.78 | BRD4 (0.62) | CA12CA1CA2CA9KDR | |
| SCHEMBL5516214 | 0.78 | BRD4 (0.61) | HTTMEN1KMT2ABRD4 | |
| SCHEMBL5510444 | 0.77 | BRD4 (0.63) | ALDH1A1SMN1; SMN2HTTBRD4POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-101146770-A | 2-phenyl indoles as prostaglandin D2 receptor antagonists | AVENTIS PHARMA INC (US) | 2008-03-19 | — | — | CN | disclosed |