Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 13/20 | 0.67 |
| ▸ | HDAC2 | Q92769 | 12/20 | 0.67 |
| ▸ | CTSL | P07711 | 5/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 11/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 9/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 9/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 9/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 9/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 9/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 9/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.54 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12963542 | 0.91 | HDAC1 (0.69) | HDAC1HDAC2CTSLHDAC8HDAC3 | |
| SCHEMBL8348688 | 0.86 | HDAC1 (0.64) | HDAC1HDAC2CTSLHDAC8HDAC3 | |
| SCHEMBL17628580 | 0.83 | TMIGD3 (0.70) | HDAC1HDAC2CTSLHDAC8HDAC3 | |
| SCHEMBL12933332 | 0.82 | HDAC1 (0.59) | HDAC1HDAC2CTSLHDAC8HDAC3 | |
| SCHEMBL6821043 | 0.81 | CDK2 (0.62) | HDAC1HDAC2CTSLADORA2AADORA1 | |
| SCHEMBL6817833 | 0.81 | CDK1 (0.63) | HDAC1HDAC2HDAC8 | |
| SCHEMBL13906495 | 0.81 | TLR9 (0.59) | HDAC1HDAC2CTSL | |
| SCHEMBL6152650 | 0.80 | CTSL (0.69) | HDAC1CTSLTMIGD3ADORA2AADORA1 | |
| SCHEMBL6817859 | 0.80 | CDK1 (0.74) | HDAC1CTSLTMIGD3ADORA2AADORA1 | |
| SCHEMBL28726379 | 0.79 | YTHDC1 (0.74) | HDAC1HDAC2HDAC8HDAC3HDAC4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1056745-B1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMA INC (US) | 2004-06-16 | — | — | EP | disclosed |
| US-6413974-B1 | INHIBITORS OF CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; PREVENTING APOPTOSIS IN NEURONAL CELLS; ANTINEOPLASTIC AGENTS; NEURONAL INJURY AND DEGENERATION; CEREBROVASCULAR DISEASE | AVENTIS PHARMACEUTICALS INC. | 2002-07-02 | — | — | US | disclosed |
| EP-1056745-A2 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043676-A2 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |