Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17474384 | 0.79 | NPSR1 (0.60) | ALDH1A1MCOLN3L3MBTL1NPSR1MAPT | |
| SCHEMBL16071190 | 0.79 | NPSR1 (0.60) | ALDH1A1MCOLN3L3MBTL1NPSR1MAPT | |
| SCHEMBL25650179 | 0.79 | PKM (0.61) | MEN1KMT2AALDH1A1MCOLN3L3MBTL1 | |
| SCHEMBL12169284 | 0.76 | PSEN1 (0.68) | KMT2AALDH1A1NPSR1ACHEPKM | |
| SCHEMBL15013070 | 0.76 | PSEN1 (0.68) | KMT2AALDH1A1NPSR1ACHEPKM | |
| SCHEMBL16056291 | 0.75 | L3MBTL1 (0.47) | MEN1KMT2AALDH1A1MCOLN3L3MBTL1 | |
| SCHEMBL3116741 | 0.75 | PSEN1 (0.75) | KMT2AALDH1A1ACHEAKR1C3 | |
| SCHEMBL32665653 | 0.75 | ALDH1A1 (0.58) | MEN1KMT2AALDH1A1MCOLN3L3MBTL1 | |
| SCHEMBL15846076 | 0.74 | PKM (0.47) | MEN1KMT2AALDH1A1MCOLN3L3MBTL1 | |
| SCHEMBL5001507 | 0.73 | L3MBTL1 (0.67) | ALDH1A1MCOLN3L3MBTL1NPSR1ACHE |
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-9505718-B2 | 3-piperidone compounds and their use as neurokinin-1 (NK1) receptor antagonists | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-11-29 | — | — | US | disclosed |