Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL687401 | 0.85 | POLB (0.45) | ALDH1A1MAPTPOLBMAPK1MEN1 | |
| SCHEMBL687471 | 0.84 | POLB (0.47) | ALDH1A1SMN1; SMN2POLBMAPK1MEN1 | |
| SCHEMBL7113819 | 0.81 | MAPT (0.37) | ALDH1A1SMN1; SMN2MAPTPOLBMAPK1 | |
| SCHEMBL5217967 | 0.80 | KMT2A (0.42) | ALDH1A1SMN1; SMN2MAPTPOLBMAPK1 | |
| SCHEMBL7477862 | 0.77 | ALDH1A1 (0.50) | ALDH1A1RECQLSMN1; SMN2MAPTPOLB | |
| SCHEMBL22103682 | 0.77 | ALDH1A1 (0.66) | ALDH1A1RECQLSMN1; SMN2POLBMAPK1 | |
| SCHEMBL2989161 | 0.77 | CYP1A2 (0.47) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL28231986 | 0.73 | NOTUM (0.32) | LMNA | |
| SCHEMBL7111160 | 0.73 | KMT2A (0.47) | SMN1; SMN2MAPTMEN1KMT2ATSHR | |
| SCHEMBL7113832 | 0.71 | PDE3B (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1351924-A2 | DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Pharma Company (US) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002050019-A2 | DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB PHARMA CO. (US) | 2002-06-27 | — | — | WO | disclosed |