Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.54 |
| ▸ | NPC1 | O15118 | 8/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11241863 | 0.81 | MAPT (0.55) | RAB9ANPC1MAPTALDH1A1LMNA | |
| SCHEMBL10895485 | 0.77 | EGFR (0.57) | RAB9ANPC1MAPTALDH1A1LMNA | |
| SCHEMBL10060155 | 0.77 | KDM4E (0.58) | RAB9AMAPTALDH1A1LMNAMAPK1 | |
| SCHEMBL2264177 | 0.77 | MAOA (0.51) | MAPTALDH1A1LMNAKMT2AKDM4E | |
| SCHEMBL8161753 | 0.76 | PPIA (0.54) | RAB9ANPC1MAPTALDH1A1LMNA | |
| SCHEMBL27677954 | 0.76 | RAB9A (0.55) | RAB9ANPC1MAPTALDH1A1LMNA | |
| SCHEMBL11372606 | 0.74 | KDM4E (0.55) | MAPTALDH1A1EGFRKDRKMT2A | |
| SCHEMBL5068509 | 0.74 | CA1 (0.75) | RAB9ANPC1MAPTALDH1A1LMNA | |
| SCHEMBL11250173 | 0.74 | CDC25B (0.54) | RAB9ANPC1MAPTALDH1A1LMNA | |
| SCHEMBL11379247 | 0.74 | KDM4E (0.54) | MAPTALDH1A1LMNAMAPK1EGFR |
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-0189818-A1 | Isoquinoline thromboxane synthetase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-08-06 | — | — | EP | disclosed |
| US-4584379-A | Isoquinoline thromboxane synthetase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-04-22 | — | — | US | disclosed |