Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.73 |
| ▸ | RAB9A | P51151 | 11/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | MLLT1 | Q03111 | 5/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.65 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.65 |
| ▸ | MLLT3 | P42568 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL17661429 | 0.85 | NPC1 (1.00) | NPC1RAB9ATDP1MLLT1KMT2A | |
| SCHEMBL18618367 | 0.83 | MLLT1 (0.95) | NPC1RAB9ATDP1MLLT1KMT2A | |
| SCHEMBL11931680 | 0.82 | NPC1 (1.00) | NPC1RAB9ATDP1MLLT1KMT2A | |
| SCHEMBL17933816 | 0.82 | NPC1 (0.95) | NPC1RAB9ATDP1MLLT1KMT2A | |
| SCHEMBL18617086 | 0.80 | ACKR3 (0.74) | NPC1RAB9ATDP1MLLT1KMT2A | |
| SCHEMBL11931686 | 0.80 | NPC1 (1.00) | NPC1RAB9ATDP1MLLT1KMT2A | |
| SCHEMBL11937745 | 0.79 | TRPV1 (1.00) | NPC1RAB9ATDP1MLLT1KMT2A | |
| SCHEMBL17117167 | 0.79 | NPC1 (1.00) | NPC1RAB9ATDP1MLLT1KMT2A | |
| SCHEMBL19245571 | 0.79 | ROCK2 (0.57) | NPC1RAB9ATDP1KMT2AMEN1 | |
| SCHEMBL13902147 | 0.78 | S1PR1 (1.00) | NPC1RAB9ATDP1MLLT1KMT2A |
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-2017040606-A1 | ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2017-03-09 | — | — | WO | disclosed |