Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.48 |
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565528 | 0.80 | CNR1 (0.69) | CA2CA1LMNAALDH1A1HSD17B2 | |
| SCHEMBL6567657 | 0.78 | POLB (0.43) | CA2CA1LMNAMEN1ALDH1A1 | |
| SCHEMBL6567548 | 0.75 | CA1 (0.75) | CA2CA1SMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL10789439 | 0.74 | CNR1 (0.71) | LMNASMN1; SMN2ALDH1A1POLBPKM | |
| SCHEMBL22170209 | 0.72 | CYP19A1 (0.55) | CA2CA1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL23903309 | 0.72 | LMNA (0.52) | LMNASMN1; SMN2MEN1ALDH1A1KMT2A | |
| SCHEMBL22268005 | 0.71 | CYP2C19 (0.45) | LMNASMN1; SMN2KDM4EMEN1ALDH1A1 | |
| SCHEMBL12312513 | 0.69 | TTR (0.45) | CA2CA1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL5327611 | 0.69 | CNR1 (0.57) | CA2CA1POLBHSD17B2CNR1 | |
| SCHEMBL6568657 | 0.69 | BCAT2 (0.50) | CA2CA1SMN1; SMN2KDM4EMEN1 |
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 |