Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15938082 | 0.86 | CYP19A1 (0.51) | CYP19A1ALDH1A1MAPK1MAPTKDM4E | |
| SCHEMBL15938083 | 0.86 | CYP19A1 (0.51) | CYP19A1ALDH1A1MAPK1MAPTKDM4E | |
| SCHEMBL227065 | 0.83 | TLR9 (0.60) | CYP19A1ALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL11745227 | 0.83 | CYP19A1 (0.72) | CYP19A1ALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL11745232 | 0.83 | CYP19A1 (0.72) | CYP19A1ALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL227066 | 0.83 | TLR9 (0.60) | CYP19A1ALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL1572278 | 0.82 | ALDH1A1 (0.60) | CYP19A1ALDH1A1MAPK1MAPTKDM4E | |
| SCHEMBL11743249 | 0.82 | CYP19A1 (0.51) | CYP19A1ALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL11743270 | 0.82 | CYP19A1 (0.51) | CYP19A1ALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL11835893 | 0.82 | CYP19A1 (0.48) | CYP19A1ALDH1A1MAPK1MAPTKDM4E |
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-5688803-A | BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |