Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.65 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 6/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | CFTR | P13569 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.56 |
| ▸ | STAT3 | P40763 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL25802387 | 0.89 | HRH3 (0.66) | HRH3MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL613949 | 0.86 | STING1 (0.55) | HRH3STING1MAPTALDH1A1LMNA | |
| SCHEMBL11189753 | 0.86 | HRH3 (0.67) | HRH3STING1MAPTALDH1A1LMNA | |
| SCHEMBL18229442 | 0.86 | HRH3 (0.69) | HRH3STING1MAPTALDH1A1MEN1 | |
| SCHEMBL7807900 | 0.85 | HRH3 (0.67) | HRH3MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL31218207 | 0.85 | HRH3 (0.67) | HRH3MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL4435112 | 0.85 | KMT2A (0.63) | HRH3MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL27333111 | 0.84 | HRH3 (0.67) | HRH3MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL18229439 | 0.84 | HRH3 (0.77) | HRH3STING1MAPTALDH1A1LMNA | |
| SCHEMBL18229461 | 0.83 | HRH3 (0.65) | HRH3STING1MAPTALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016181414-A1 | PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-11-17 | — | — | WO | claimed |
| WO-2016181414-A1 | PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-11-17 | — | — | WO | disclosed |