Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10712129 | 0.96 | TDP1 (0.50) | TDP1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL19258910 | 0.92 | TDP1 (0.46) | TDP1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL112814 | 0.91 | SIGMAR1 (0.46) | TDP1ADRA1ASLC6A3GRIK1SIGMAR1 | |
| SCHEMBL11693551 | 0.90 | TRPA1 (0.46) | TDP1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6989076 | 0.88 | ALDH1A1 (0.50) | TDP1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL19285755 | 0.86 | TDP1 (0.54) | TDP1SMN1; SMN2HTR2A | |
| SCHEMBL11274710 | 0.86 | TDP1 (0.44) | TDP1SMN1; SMN2 | |
| SCHEMBL9670504 | 0.84 | CA2 (0.37) | SLC6A3 | |
| SCHEMBL19824586 | 0.83 | FDFT1 (0.53) | HDAC1HDAC2KCNH2 | |
| SCHEMBL4595228 | 0.82 | TDP1 (0.54) | TDP1SMN1; SMN2HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6818643-B1 | 3,9-DIAZABICYCLO(3.3.1)NONAN-2-ONE DERIVATIVES; PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORS; NEUROPROTECTIVE AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-16 | — | — | US | disclosed |
| WO-2001042245-A1 | NEUROTROPHIC BICYCLIC DIAMIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-06-14 | — | — | WO | disclosed |