Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP7 | P09237 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6989166 | 0.99 | PKM (0.58) | PKMGLAHRH3NPC1GFER | |
| SCHEMBL6987979 | 0.88 | KDM4E (0.59) | HRH3KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6991722 | 0.87 | KDM4E (0.58) | HRH3KDM4EMEN1KMT2A | |
| SCHEMBL6991958 | 0.83 | MAPT (0.67) | NPC1TSHRMEN1KMT2AFAAH | |
| Hydrochloric Acid SCHEMBL6989666 | 0.82 | MAPT (0.65) | NPC1TSHRMEN1KMT2AFAAH | |
| SCHEMBL6987380 | 0.80 | CTDSP1 (0.57) | PKMHRH3KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6987696 | 0.79 | CTDSP1 (0.56) | PKMHRH3KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6990408 | 0.78 | KMT2A (0.51) | KDM4ETSHRMEN1KMT2AFAAH | |
| SCHEMBL6991815 | 0.78 | ALDH1A1 (0.52) | PKMKDM4EMEN1KMT2A | |
| SCHEMBL5466489 | 0.78 | MEN1 (0.72) | PKMGLAHRH3NPC1GFER |
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-1343775-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002048124-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-20 | — | — | WO | disclosed |