Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.64 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.60 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.60 |
| ▸ | PLAU | P00749 | 1/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.59 |
| ▸ | GALK1 | P51570 | 1/20 | 0.58 |
| ▸ | CASP6 | P55212 | 1/20 | 0.58 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.58 |
| ▸ | PLEC | Q15149 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | PGR | P06401 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | F2 | P00734 | 1/20 | 0.56 |
| ▸ | F7 | P08709 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL15472303 | 0.96 | NR1H4 (0.66) | NR1H4HPSERAB9ANPC1NLRP3 | |
| SCHEMBL18745408 | 0.91 | HPSE (0.57) | NR1H4HPSERAB9ANPC1NLRP3 | |
| SCHEMBL18745403 | 0.91 | KMT2A (0.59) | NR1H4HPSERAB9ANPC1NLRP3 | |
| SCHEMBL15472300 | 0.91 | HPSE (0.57) | NR1H4HPSERAB9ANPC1NLRP3 | |
| SCHEMBL8299942 | 0.90 | NR1H4 (0.67) | NR1H4HPSERAB9ANPC1NLRP3 | |
| SCHEMBL22543145 | 0.86 | NR1H4 (0.78) | NR1H4HPSERAB9ANPC1NLRP3 | |
| SCHEMBL15472305 | 0.85 | CYP1A2 (0.62) | RAB9ANPC1SMN1; SMN2KMT2ATP53 | |
| SCHEMBL18745409 | 0.85 | NPC1 (0.67) | NR1H4RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL18745399 | 0.85 | RXFP1 (0.67) | RAB9ANPC1NLRP3PGRSMN1; SMN2 | |
| SCHEMBL13211973 | 0.85 | NR1H4 (0.68) | NR1H4HPSERAB9ANPC1NLRP3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9890123-B2 | 6-aminoisoquinoline compounds | AERIE PHARMACEUTICALS, INC. (US) | 2018-02-13 | — | — | US | disclosed |