Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CCR4 | P51679 | 1/20 | 0.44 |
| ▸ | EDNRB | P24530 | 2/20 | 0.44 |
| ▸ | EDNRA | P25101 | 2/20 | 0.44 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4780513 | 0.86 | ALDH1A1 (0.52) | ALDH1A1PKMTSHRTP53KMT2A | |
| SCHEMBL4781581 | 0.85 | AXL (0.49) | CYP3A4TSHRPTGES2KMT2AMEN1 | |
| SCHEMBL3089179 | 0.84 | SLC40A1 (0.46) | ALDH1A1TSHRPGRPTGES2EDNRB | |
| SCHEMBL4781223 | 0.82 | EDNRB (0.48) | ALDH1A1CYP1A2CYP3A4PKMTSHR | |
| SCHEMBL4775751 | 0.81 | SLC40A1 (0.44) | CYP2C19PGRKDM1ACCR4EDNRB | |
| SCHEMBL3095682 | 0.78 | PIK3C2B (0.36) | ALDH1A1PKMPGRKDM1AKMT2A | |
| SCHEMBL4836640 | 0.72 | EDNRA (0.46) | ALDH1A1TSHRTP53KMT2AMEN1 | |
| SCHEMBL4793152 | 0.70 | SLC40A1 (0.46) | ALDH1A1TSHRTP53KMT2AMEN1 | |
| SCHEMBL4782048 | 0.70 | PGR (0.54) | ALDH1A1PKMPGRKDM1AKMT2A | |
| SCHEMBL16501001 | 0.70 | AXL (0.47) | CYP3A4KMT2AMEN1SLC40A1 |
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-2008008374-A2 | CCR2 INHIBITORS AND METHODS OF USE THEREOF | CHEMOCENTRYX, INC. (US) | 2008-01-17 | — | — | WO | claimed |