Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18960431 | 0.90 | NPC1 (0.43) | CYP3A4NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL18960430 | 0.89 | CYP3A4 (0.47) | CYP3A4NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL18960426 | 0.88 | NPC1 (0.48) | CYP3A4NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL17488270 | 0.84 | NPC1 (0.37) | CYP3A4NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL18960449 | 0.84 | GAA (0.42) | NPC1RAB9ASMN1; SMN2KMT2APKM | |
| SCHEMBL18960459 | 0.83 | NPC1 (0.36) | CYP3A4NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL17487724 | 0.81 | CYP3A4 (0.35) | CYP3A4NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL17488115 | 0.81 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2KMT2APKM | |
| SCHEMBL18960456 | 0.80 | NPC1 (0.42) | CYP3A4NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL17488133 | 0.80 | NPC1 (0.49) | CYP3A4NPC1RAB9ASMN1; SMN2KMT2A |
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-2016016421-A1 | 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS | INSTITUT PASTEUR KOREA (KR) | 2016-02-04 | — | — | WO | disclosed |