Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A3 | P48764 | 1/20 | 0.48 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.42 |
| ▸ | METAP2 | P50579 | 2/20 | 0.41 |
| ▸ | METAP1 | P53582 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29506919 | 0.82 | DDB1 (0.56) | SLC9A3DDB1CRBNHCRTR1HCRTR2 | |
| SCHEMBL4887893 | 0.80 | MCHR1 (0.61) | SLC9A3DDB1CRBNHCRTR1HCRTR2 | |
| SCHEMBL9050436 | 0.80 | MCHR1 (0.57) | SLC9A3DDB1CRBNHCRTR1HCRTR2 | |
| SCHEMBL9632180 | 0.78 | MCHR1 (0.64) | SLC9A3DDB1CRBNHCRTR1HCRTR2 | |
| SCHEMBL21227882 | 0.78 | DDB1 (0.52) | SLC9A3DDB1CRBNHCRTR1HCRTR2 | |
| Hydrochloric Acid SCHEMBL9051831 | 0.78 | MCHR1 (0.56) | SLC9A3DDB1CRBNHCRTR1HCRTR2 | |
| SCHEMBL20064508 | 0.77 | HCRTR1 (0.46) | SLC9A3DDB1CRBNHCRTR1HCRTR2 | |
| Hydrochloric Acid SCHEMBL21222507 | 0.77 | DDB1 (0.51) | SLC9A3DDB1CRBNHCRTR1HCRTR2 | |
| SCHEMBL3129814 | 0.77 | DDB1 (0.51) | SLC9A3DDB1CRBNHCRTR1HCRTR2 | |
| SCHEMBL3715640 | 0.76 | DDB1 (0.53) | DDB1CRBNKDM4EMAPTRAB9A |
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-2018069863-A1 | 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |