Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | COMT | P21964 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
| ▸ | CCR8 | P51685 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 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 | |
|---|---|---|---|---|
| SCHEMBL25521674 | 0.82 | PDE4D (0.46) | MMP2TSHRCHRM1COMTADRA1A | |
| SCHEMBL25523955 | 0.79 | KDM4E (0.43) | MMP2TSHRCHRM1COMTADRA1A | |
| SCHEMBL25521795 | 0.78 | KDM4E (0.48) | MMP2TSHRCHRM1COMTADRA1A | |
| SCHEMBL25521931 | 0.76 | DYRK1A (0.46) | KDM4EL3MBTL1RAB9ANPC1RAD52 | |
| SCHEMBL25522191 | 0.73 | NPC1 (0.50) | KDM4ERAB9ANPC1TDP1 | |
| SCHEMBL13452501 | 0.72 | CCR1 (0.52) | MMP2TSHRCHRM1COMTADRA1A | |
| SCHEMBL25523899 | 0.72 | AKR1C3 (0.42) | NPC1ALDH1A1KMT2A | |
| SCHEMBL25524104 | 0.71 | PDGFRB (0.51) | KDM4ERAB9ANPC1ALDH1A1HPGD | |
| SCHEMBL25522060 | 0.71 | HSP90AA1 (0.34) | CCR1CCR5CCR8HSP90AA1 | |
| SCHEMBL25522194 | 0.69 | AR (0.50) | KDM4EL3MBTL1RAB9ANPC1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023086428-A2 | NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |