Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.48 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8048083 | 0.82 | BCAT2 (0.62) | BCAT2TACR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6565528 | 0.81 | CNR1 (0.69) | TACR1HSD17B2CA1CA2CNR1 | |
| SCHEMBL6568615 | 0.80 | ROCK2 (0.54) | BCAT2NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28038749 | 0.76 | BCAT2 (0.58) | BCAT2TACR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27935185 | 0.76 | BCAT2 (0.58) | BCAT2TACR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6567548 | 0.76 | CA1 (0.75) | NPC1RAB9ASMN1; SMN2HSD17B2CA1 | |
| SCHEMBL4855491 | 0.75 | BCAT2 (0.64) | BCAT2NPC1RAB9ASMN1; SMN2ASAH1 | |
| SCHEMBL6567231 | 0.73 | MEN1 (0.50) | TACR1MEN1KMT2A | |
| SCHEMBL11653151 | 0.72 | CNR2 (0.56) | CNR1CNR2MEN1KMT2AADRB2 | |
| SCHEMBL12846944 | 0.71 | ASAH1 (0.68) | BCAT2NPC1RAB9ASMN1; SMN2ASAH1 |
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 |