Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.56 |
| ▸ | ERCC1 | P07992 | 3/20 | 0.54 |
| ▸ | ERCC4 | Q92889 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CRHBP | P24387 | 1/20 | 0.51 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10900021 | 0.91 | ALDH1A1 (0.59) | HTTALDH1A1LMNAMAPK1NLRP1 | |
| SCHEMBL11867707 | 0.87 | ALDH1A1 (0.58) | HTTALDH1A1LMNAMAPK1NLRP1 | |
| SCHEMBL17914676 | 0.84 | ALDH1A1 (0.62) | ALDH1A1LMNAMAPK1NLRP1ERCC1 | |
| SCHEMBL17372538 | 0.83 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPK1NLRP1ERCC1 | |
| SCHEMBL1143282 | 0.80 | ALDH1A1 (0.64) | ALDH1A1LMNAMAPK1NLRP1ERCC1 | |
| SCHEMBL4074085 | 0.78 | HTT (0.55) | HTTALDH1A1HPGDTRPV1LMNA | |
| SCHEMBL8446781 | 0.78 | HPGD (1.00) | HTTALDH1A1HPGDTRPV1LMNA | |
| SCHEMBL7241336 | 0.78 | ALDH1A1 (0.62) | HTTALDH1A1LMNAMAPK1NLRP1 | |
| SCHEMBL1143378 | 0.78 | ALDH1A1 (0.62) | ALDH1A1LMNAMAPK1NLRP1ERCC1 | |
| SCHEMBL6529545 | 0.78 | LMNA (0.60) | HTTALDH1A1LMNAMAPK1NLRP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1389460-A1 | CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND | Kureha Chemical Industry Co., Ltd. (JP) | 2004-02-18 | — | — | EP | disclosed |