Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.59 |
| ▸ | SETDB1 | Q15047 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24249619 | 0.80 | SRC (0.57) | SRCNPC1RAB9AERN1KDM4E | |
| SCHEMBL6248360 | 0.80 | NPC1 (0.60) | SETDB1NPC1RAB9AMTNR1AMTNR1B | |
| SCHEMBL22904559 | 0.77 | SRC (0.69) | SRCNPC1RAB9ASMN1; SMN2ERN1 | |
| SCHEMBL27810759 | 0.75 | SETDB1 (0.51) | SETDB1NPC1RAB9AMTNR1AMTNR1B | |
| SCHEMBL13180289 | 0.75 | SRC (0.65) | SRCERN1KDM4ENPSR1ALDH1A1 | |
| SCHEMBL8228622 | 0.74 | PDE10A (0.52) | SETDB1NPC1SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL13496152 | 0.74 | SRC (0.63) | SRCSMN1; SMN2ERN1KMT2AP2RX7 | |
| SCHEMBL14635966 | 0.73 | SETDB1 (0.56) | SETDB1NPC1RAB9AMTNR1AMTNR1B | |
| SCHEMBL13104293 | 0.73 | SETDB1 (0.56) | SETDB1NPC1RAB9AMTNR1AMTNR1B | |
| SCHEMBL16904956 | 0.73 | SETDB1 (0.49) | SETDB1NPC1RAB9AMTNR1AMTNR1B |
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-7354919-B2 | Isoxazole compositions useful as inhibitors of ERK | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-08 | — | — | US | disclosed |