Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21495093 | 1.00 | CCR1 (0.40) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL27668675 | 0.78 | CCR1 (0.41) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL4436320 | 0.78 | ALDH1A1 (0.38) | RAB9AS1PR2S1PR4S1PR3KDM4E | |
| SCHEMBL26126120 | 0.77 | CCR1 (0.40) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL12050481 | 0.77 | CCR1 (0.40) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL16601086 | 0.77 | ESR1 (0.45) | — | |
| SCHEMBL22775197 | 0.77 | APLNR (0.41) | HDAC6ALDH1A1 | |
| SCHEMBL1849724 | 0.77 | APLNR (0.41) | HDAC6ALDH1A1 | |
| SCHEMBL13859277 | 0.77 | L3MBTL1 (0.35) | S1PR2S1PR4S1PR3 | |
| Bromide SCHEMBL5196642 | 0.77 | ALDH1A1 (0.37) | S1PR2S1PR4S1PR3KDM4EALDH1A1 |
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-4232449-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES | Celgene Corporation (US) | 2023-08-30 | — | — | EP | disclosed |
| WO-2022087326-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES | CELGENE CORPORATION (US) | 2022-04-28 | — | — | WO | disclosed |
| WO-2008118327-A1 | CONFORMATIONALLY RESTRAINED EPOTHILONE ANALOGUES AS ANTI-LEUKEMIC AGENTS | UNIVERSITY OF TOLEDO (US) | 2008-10-02 | — | — | WO | disclosed |
| WO-2007015929-A2 | EPOTHILONE ANALOGUES | UNIVERSITY OF TOLEDO (US) | 2007-02-08 | — | — | WO | disclosed |