Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | POLB | P06746 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | FGR | P09769 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.39 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3259474 | 0.82 | CASP3 (0.44) | TDP1ALDH1A1POLBL3MBTL1CASP3 | |
| SCHEMBL31688086 | 0.75 | TDP1 (0.50) | TDP1ALDH1A1POLBCASP3LMNA | |
| SCHEMBL4715603 | 0.75 | TDP1 (0.50) | TDP1ALDH1A1POLBCASP3LMNA | |
| SCHEMBL3211204 | 0.74 | TDP1 (0.53) | TDP1ALDH1A1POLBL3MBTL1CASP3 | |
| SCHEMBL28798215 | 0.72 | TDP1 (0.47) | TDP1ALDH1A1POLBL3MBTL1CASP3 | |
| SCHEMBL11529767 | 0.72 | ALDH1A1 (0.53) | TDP1ALDH1A1POLBL3MBTL1LMNA | |
| SCHEMBL10590551 | 0.72 | CASP3 (0.43) | TDP1ALDH1A1POLBL3MBTL1CASP3 | |
| SCHEMBL11684491 | 0.72 | TDP1 (0.47) | TDP1ALDH1A1POLBCASP3LMNA | |
| SCHEMBL15081352 | 0.71 | TDP1 (0.50) | TDP1ALDH1A1POLBL3MBTL1CASP3 | |
| SCHEMBL11413588 | 0.71 | TDP1 (0.46) | TDP1ALDH1A1POLBL3MBTL1CASP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8148397-B2 | 5-HT7 receptor antagonists | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-04-03 | — | — | US | disclosed |
| US-7662862-B2 | 5-HT7 receptor antagonists | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-02-16 | — | — | US | disclosed |
| US-7553965-B2 | Central nervous system disorders; compounds are 3-sulfonamidoalkyl 2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylenes | LABORATORIES DEL DR. ESTEVE, S.A. (ES) | 2009-06-30 | — | — | US | disclosed |