Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 6/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 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 | |
|---|---|---|---|---|
| SCHEMBL4354700 | 0.87 | CXCR1 (0.48) | CXCR2KMT2AMEN1GAAPOLB | |
| SCHEMBL6568668 | 0.81 | GAA (0.61) | KMT2AMEN1GAAPOLBHTT | |
| SCHEMBL4355807 | 0.76 | KMT2A (0.54) | KMT2AMEN1GAAPOLBHTT | |
| SCHEMBL6566923 | 0.76 | IDO1 (0.52) | KMT2AMEN1GAAPOLBHTT | |
| SCHEMBL14224546 | 0.74 | CXCR2 (0.60) | CXCR2KMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL4359261 | 0.73 | KMT2A (0.54) | CXCR2KMT2AMEN1POLBHTT | |
| SCHEMBL6568647 | 0.73 | HTT (0.41) | CXCR2KMT2AMEN1GAAPOLB | |
| SCHEMBL27877164 | 0.72 | CXCR2 (0.67) | CXCR2KMT2AMEN1GAAPOLB | |
| SCHEMBL12125138 | 0.72 | LMNA (0.55) | CXCR2KMT2AMEN1GAAPOLB | |
| SCHEMBL6836163 | 0.72 | CXCR2 (0.57) | CXCR2KMT2AMEN1GAAHTT |
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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |