Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.72 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MITF | O75030 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | F7 | P08709 | 1/20 | 0.51 |
| ▸ | F3 | P13726 | 1/20 | 0.51 |
| ▸ | SNCA | P37840 | 2/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27880464 | 0.84 | ALDH1A1 (0.53) | LMNANPSR1NPC1ALDH1A1RAB9A | |
| SCHEMBL11223937 | 0.76 | FSCN1 (0.58) | LMNANPSR1NPC1ALDH1A1RAB9A | |
| SCHEMBL27880558 | 0.74 | F7 (0.51) | LMNANPSR1NPC1ALDH1A1RAB9A | |
| SCHEMBL18207452 | 0.73 | F7 (0.45) | LMNANPSR1NPC1ALDH1A1RAB9A | |
| SCHEMBL197621 | 0.71 | NPSR1 (0.56) | LMNANPSR1NPC1ALDH1A1RAB9A | |
| SCHEMBL27880424 | 0.71 | TSHR (0.49) | F7F3SNCANR4A2GABRP | |
| SCHEMBL8996028 | 0.70 | KMT2A (0.47) | LMNANPSR1NPC1ALDH1A1RAB9A | |
| Acetic Acid SCHEMBL11193100 | 0.70 | F7 (0.61) | F7F3NR4A2MTNR1AMTNR1B | |
| SCHEMBL11551945 | 0.69 | PDE7A (0.44) | LMNANPSR1NPC1ALDH1A1RAB9A | |
| SCHEMBL27388946 | 0.69 | ABL1 (0.49) | LMNANPSR1ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016181414-A1 | PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-11-17 | — | — | WO | claimed |