Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4417183 | 1.00 | IDO1 (0.55) | IDO1KMT2ATP53GLACYP3A4 | |
| SCHEMBL29648879 | 0.94 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29648945 | 0.94 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29648946 | 0.94 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24403852 | 0.94 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24403853 | 0.94 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24403855 | 0.94 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24403876 | 0.94 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29648915 | 0.87 | HDAC3 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29648816 | 0.86 | TACR2 (0.55) | — |
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-1495022-A1 | DIAZABICYCLO ALKANE DERIVATIVES WITH NK1 ANTAGONISTIC ACTIVITY | Solvay Pharmaceuticals B.V. (NL) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003084955-A1 | DIAZABICYCLO ALKANE DERIVATIVES WITH NK1 ANTAGONISTIC ACTIVITY | SOLVAY PHARMACEUTICALS B.V. (NL) | 2003-10-16 | — | — | WO | disclosed |