Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | GRM5 | P41594 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL27854607 | 0.98 | ALDH1A1 (0.58) | ALDH1A1TSHRKDM4EGAARAB9A | |
| SCHEMBL22749542 | 0.83 | ALDH1A1 (0.49) | ALDH1A1TSHRKDM4EGAARAB9A | |
| SCHEMBL21489688 | 0.82 | SMYD3 (0.55) | GRM5 | |
| SCHEMBL19701331 | 0.82 | SMYD3 (0.55) | GRM5 | |
| SCHEMBL23107926 | 0.82 | EPHX1 (0.50) | ALDH1A1TSHRGRM5 | |
| SCHEMBL2590689 | 0.80 | GRM5 (0.80) | ALDH1A1KDM4EGAACYP1A2KMT2A | |
| SCHEMBL22449377 | 0.80 | GRM5 (0.80) | ALDH1A1KDM4EGAACYP1A2KMT2A | |
| SCHEMBL10778614 | 0.77 | SMN1; SMN2 (0.50) | ALDH1A1TSHRKDM4EGAARAB9A | |
| SCHEMBL2246381 | 0.77 | GRM5 (0.82) | KDM4EGAACYP1A2KMT2AGRM5 | |
| SCHEMBL21490099 | 0.77 | SMYD3 (0.71) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471334-A | Metabotropic glutamate receptor modulators | MERZ PHARMA GMBH & CO KGAA | 2012-05-23 | — | — | CN | claimed |
| WO-2008056176-A1 | PYRAZOLOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS | SCOTTISH BIOMEDICAL LIMITED (GB) | 2008-05-15 | — | — | WO | claimed |
| WO-2016020526-A1 | INDOLES FOR USE IN INFLUENZA VIRUS INFECTION | JANSSEN SCIENCES IRELAND UC (IE) | 2016-02-11 | — | — | WO | disclosed |
| CN-102471334-A | Metabotropic glutamate receptor modulators | MERZ PHARMA GMBH & CO KGAA | 2012-05-23 | — | — | CN | disclosed |
| WO-2008056176-A1 | PYRAZOLOPYRIMIDINES AS PHOSPHODIESTERASE INHIBITORS | SCOTTISH BIOMEDICAL LIMITED (GB) | 2008-05-15 | — | — | WO | disclosed |