Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6015468 | 0.87 | ALDH1A1 (0.38) | ALDH1A1GFERTDP1CA2MAPT | |
| SCHEMBL23892032 | 0.81 | NOS1 (0.48) | LOXL2NOS3NOS1NOS2 | |
| SCHEMBL23230257 | 0.80 | LMNA (0.43) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL27727263 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP3A4GFERTSHRTDP1 | |
| SCHEMBL10984806 | 0.78 | NOS3 (0.43) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL1511861 | 0.78 | LPL (0.44) | ALDH1A1TSHRTDP1CA2HSD17B10 | |
| SCHEMBL465583 | 0.78 | CA2 (0.50) | ALDH1A1CYP3A4CA2ACHEHIF1A | |
| SCHEMBL10339088 | 0.78 | TDP1 (0.48) | ALDH1A1CYP3A4GFERTSHRTDP1 | |
| SCHEMBL3899314 | 0.78 | IDO1 (0.44) | ALDH1A1TDP1KMT2AACHEALOX15 | |
| SCHEMBL9256936 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4GFERTSHRTDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3663317-A1 | ANTIBODIES TO QUETIAPINE HAPTENS AND USE THEREOF | Janssen Pharmaceutica NV (BE) | 2020-06-10 | — | — | EP | disclosed |
| EP-3453711-A1 | LLP2A- BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT | The Regents of the University of California (US) | 2019-03-13 | — | — | EP | disclosed |
| EP-2888263-B1 | HAPTENS OF RISPERIDONE AND PALIPERIDONE | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-09 | — | — | EP | disclosed |
| WO-2009015179-A1 | NOVEL COMPOUNDS AND METHODS OF USING THEM | SYNDAX PHARMACEUTICALS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |
| US-5206342-A | POLYMERIZATION OF CARBON MONOXIDE/NON CONJUGATED ALKENYL BENZENE | SHELL OIL COMPANY (US) | 1993-04-27 | — | — | US | disclosed |