Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27531684 | 0.82 | KMT2A (0.53) | LMNAMAPTALDH1A1TP53HPGD | |
| SCHEMBL28185314 | 0.81 | CA1 (0.46) | CA1CA2LMNAMAPTALDH1A1 | |
| SCHEMBL16950841 | 0.78 | CA1 (0.50) | CA1CA2LMNAMAPTALDH1A1 | |
| 2-Methoxyresorcinol SCHEMBL69297 | 0.76 | CA2 (0.61) | CA1CA2LMNAMAPTALDH1A1 | |
| SCHEMBL20342786 | 0.74 | CA1 (0.52) | CA1CA2LMNAMAPTALDH1A1 | |
| SCHEMBL470708 | 0.74 | CA1 (0.54) | CA1CA2LMNAMAPTALDH1A1 | |
| SCHEMBL10433490 | 0.74 | CA1 (0.47) | CA1CA2LMNAMAPTALDH1A1 | |
| 2-Methoxyresorcinol SCHEMBL10818280 | 0.74 | CA2 (0.59) | CA1CA2LMNAMAPTALDH1A1 | |
| SCHEMBL9957714 | 0.74 | TRPA1 (0.48) | CA1CA2LMNAMAPTALDH1A1 | |
| Methyl 3-Hydroxy-2-Methoxybenzoate SCHEMBL1050662 | 0.73 | LMNA (0.66) | CA1CA2LMNAMAPTALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3541390-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | Cystic Fibrosis Foundation Therapeutics Inc. (US) | 2019-09-25 | — | — | EP | disclosed |
| WO-2018094137-A1 | PYRROLOPYRIMIDINES AS CFTR POTENTIATORS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) | 2018-05-24 | — | — | WO | disclosed |