Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MDM4 | O15151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5936713 | 1.00 | MMP8 (0.50) | MMP8GAAPIN1KMT2AMEN1 | |
| SCHEMBL23688603 | 0.85 | CYP2C19 (0.65) | MMP8GAAPIN1KMT2AMEN1 | |
| SCHEMBL8669701 | 0.85 | CYP2C19 (0.65) | MMP8GAAPIN1KMT2AMEN1 | |
| SCHEMBL23688606 | 0.85 | CYP2C19 (0.65) | MMP8GAAPIN1KMT2AMEN1 | |
| SCHEMBL10165351 | 0.85 | KMT2A (0.46) | MMP8GAAKMT2AMEN1CYP2C19 | |
| SCHEMBL3168058 | 0.85 | KMT2A (0.59) | MMP8GAAKMT2AMEN1CYP2C19 | |
| SCHEMBL20274587 | 0.85 | KMT2A (0.59) | MMP8GAAKMT2AMEN1CYP2C19 | |
| SCHEMBL5099068 | 0.84 | TDP1 (0.41) | MMP8GAANPC1CYP2C19SMN1; SMN2 | |
| SCHEMBL23535218 | 0.84 | L3MBTL1 (0.45) | GAAKMT2ACYP2C19SMN1; SMN2KDM4E | |
| SCHEMBL27587299 | 0.84 | MMP8 (0.48) | MMP8GAAPIN1KMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060252093-A1 | Heterocyclic organic molecules through intramolecular formation of n-acyliminium ions | CARLSBERG A/S (DK) | 2006-11-09 | — | — | US | disclosed |
| EP-1648921-A2 | LIBRARIES CONTAINING HETEROCYCLIC ORGANIC MOLECULES PREPARED THROUGH INTRAMOLECULAR FORMATION OF N-ACYLIMINIUM IONS | Carlsberg A/S (DK) | 2006-04-26 | — | — | EP | disclosed |
| WO-2004113362-A2 | LIBRARIES CONTAINING HETEROCYCLIC ORGANIC MOLECULES PREPARED THROUGH INTRAMOLECULAR FORMATION OF N-ACYLIMINIUM IONS | CARLSBERG A/S (DK) | 2004-12-29 | — | — | WO | disclosed |