Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8981264 | 0.85 | MEN1 (0.50) | MEN1KMT2ACTSLCTSSALDH1A1 | |
| SCHEMBL28086104 | 0.84 | ITGB3 (0.51) | MEN1KMT2ACTSLCTSSALDH1A1 | |
| SCHEMBL9392646 | 0.82 | MEN1 (0.45) | MEN1KMT2ACTSLCTSSALDH1A1 | |
| SCHEMBL23318030 | 0.80 | MBOAT4 (0.55) | MEN1KMT2ACTSLCTSSALDH1A1 | |
| SCHEMBL24064997 | 0.80 | HTT (0.50) | MEN1KMT2ACTSLCTSSALDH1A1 | |
| SCHEMBL8981083 | 0.79 | MEN1 (0.52) | MEN1KMT2ACTSLCTSSALDH1A1 | |
| SCHEMBL28190161 | 0.79 | SYK (0.51) | MEN1KMT2ACTSLCTSSALDH1A1 | |
| SCHEMBL23944942 | 0.78 | MBOAT4 (0.56) | MEN1KMT2ACTSLCTSSALDH1A1 | |
| SCHEMBL24064998 | 0.78 | MEN1 (0.46) | MEN1KMT2ACTSLCTSSALDH1A1 | |
| SCHEMBL27379749 | 0.78 | MEN1 (0.46) | MEN1KMT2ACTSLCTSSALDH1A1 |
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-1999118-A2 | METAL COMPLEXES OF TETRAAZAMACROCYCLE DERIVATIVES | Mallinckrodt, Inc. (US) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007106546-A2 | METAL COMPLEXES OF TETRAAZAMACROCYCLE DERIVATIVES | MALLINCKRODT INC. (US) | 2007-09-20 | — | — | WO | disclosed |