Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.58 |
| ▸ | CTSV | O60911 | 2/20 | 0.53 |
| ▸ | CTSL | P07711 | 2/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | VDR | P11473 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 1/20 | 0.51 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388008 | 0.89 | MRGPRX4 (0.59) | ABCB1ALDH1A1VDRMRGPRX4LRRK2 | |
| SCHEMBL1388037 | 0.87 | RXRA (0.60) | ABCB1ALDH1A1RXRAHTTKDM4E | |
| SCHEMBL1387886 | 0.84 | ABCB1 (0.58) | ABCB1CTSVCTSLALDH1A1RXRA | |
| SCHEMBL10421201 | 0.84 | ALDH1A1 (0.54) | ALDH1A1VDRHTTL3MBTL1KMT2A | |
| SCHEMBL8980573 | 0.83 | LRRK2 (0.54) | ABCB1CTSVCTSLVDRMRGPRX4 | |
| SCHEMBL5680240 | 0.82 | APEX1 (0.58) | CTSVCTSLALDH1A1RXRAHTT | |
| SCHEMBL1387986 | 0.81 | HTT (0.64) | ABCB1CTSVCTSLALDH1A1RXRA | |
| SCHEMBL112903 | 0.81 | SGMS2 (0.66) | ALDH1A1HTTSGMS2L3MBTL1KMT2A | |
| SCHEMBL29433417 | 0.81 | SGMS2 (0.66) | ALDH1A1HTTSGMS2L3MBTL1KMT2A | |
| SCHEMBL9784448 | 0.81 | APEX1 (0.57) | CTSVCTSLALDH1A1RXRAHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6984645-B2 | Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-01-10 | — | — | US | disclosed |