Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.60 |
| ▸ | POLB | P06746 | 3/20 | 0.60 |
| ▸ | TACR1 | P25103 | 1/20 | 0.60 |
| ▸ | MMP1 | P03956 | 1/20 | 0.58 |
| ▸ | MMP3 | P08254 | 1/20 | 0.58 |
| ▸ | MMP9 | P14780 | 1/20 | 0.58 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.58 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.58 |
| ▸ | CTSS | P25774 | 3/20 | 0.55 |
| ▸ | CTSK | P43235 | 2/20 | 0.55 |
| ▸ | PAM | P19021 | 1/20 | 0.55 |
| ▸ | CTSL | P07711 | 1/20 | 0.54 |
| ▸ | CTSB | P07858 | 1/20 | 0.54 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL13645698 | 1.00 | MAPT (0.60) | MAPTTDP1POLBTACR1MMP1 | |
| SCHEMBL16459753 | 0.88 | CTSS (0.68) | MAPTTDP1POLBMMP1MMP3 | |
| SCHEMBL16459752 | 0.88 | CTSS (0.68) | MAPTTDP1POLBMMP1MMP3 | |
| SCHEMBL18435382 | 0.88 | CTSS (0.68) | MAPTTDP1POLBMMP1MMP3 | |
| SCHEMBL3573987 | 0.86 | MMP1 (0.57) | MAPTTDP1POLBMMP1MMP3 | |
| SCHEMBL3573990 | 0.86 | MMP1 (0.57) | MAPTTDP1POLBMMP1MMP3 | |
| SCHEMBL5887700 | 0.86 | CTSS (0.55) | MAPTTDP1POLBTACR1MMP1 | |
| SCHEMBL2853588 | 0.86 | MAPT (0.51) | MAPTTDP1POLBTACR1MMP1 | |
| Hydrochloric Acid SCHEMBL20559242 | 0.86 | POLB (0.58) | MAPTTDP1POLBMMP1MMP3 | |
| Hydrochloric Acid SCHEMBL20559244 | 0.86 | POLB (0.58) | MAPTTDP1POLBMMP1MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014044849-A1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-03-27 | — | — | WO | disclosed |