Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL424461 | 0.80 | ALDH1A1 (0.44) | ALDH1A1HTTNPSR1KDM4ECYP1A2 | |
| SCHEMBL1706527 | 0.72 | ALDH1A1 (0.40) | ALDH1A1TACR1HTTNPSR1 | |
| SCHEMBL17748457 | 0.71 | RAPGEF4 (0.42) | ALDH1A1KDM4EHDAC3HDAC1HDAC2 | |
| SCHEMBL6740662 | 0.70 | NPSR1 (0.34) | ALDH1A1NPSR1KDM4ECYP3A4 | |
| SCHEMBL838486 | 0.70 | ALDH1A1 (0.50) | ALDH1A1THRBLMNA | |
| SCHEMBL7380802 | 0.69 | MAPT (0.44) | ALDH1A1HTTNPSR1KDM4ECYP1A2 | |
| SCHEMBL6740663 | 0.68 | ALDH1A1 (0.39) | ALDH1A1HTTNPSR1CYP1A2CYP3A4 | |
| SCHEMBL1588979 | 0.67 | ALDH1A1 (0.55) | ALDH1A1LMNA | |
| SCHEMBL18257145 | 0.67 | SAE1 (0.45) | ALDH1A1HTTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL7352511 | 0.66 | ALDH1A1 (0.44) | ALDH1A1NPC1LMNARAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6689771-B2 | TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-02-10 | — | — | US | disclosed |
| US-6376665-B1 | ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-04-23 | — | — | US | disclosed |