Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 SCHEMBL15048944 | 0.98 | PTGS2 (0.32) | PTGS2CYP1A2NPC1MAPTNFKB1 | |
| SCHEMBL15061962 | 0.81 | ATR (0.34) | NPC1MAPTRAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL16311513 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL15048891 | 0.79 | MAOB (0.36) | MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15048789 | 0.79 | ATR (0.34) | NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL15061959 | 0.74 | PTGS2 (0.32) | PTGS2CYP1A2 | |
| SCHEMBL15076182 | 0.72 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL15048927 | 0.71 | PTGS2 (0.32) | PTGS2CYP1A2 | |
| Hydrochloric Acid SCHEMBL16286567 | 0.71 | CYP1A2 (0.30) | CYP1A2 | |
| Hydrochloric Acid SCHEMBL16295652 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2794608-B1 | TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS | MERCK PATENT GMBH (DE) | 2016-09-14 | — | — | EP | disclosed |
| US-9403835-B2 | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | ARES TRADING S.A. (CH) | 2016-08-02 | — | — | US | disclosed |
| US-9403835-B2 | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | ARES TRADING S.A. (CH) | 2016-08-02 | — | — | US | disclosed |
| WO-2013091773-A1 | TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS | MERCK PATENT GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |
| EP-2607364-A1 | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | Ares Trading S.A. (CH) | 2013-06-26 | — | — | EP | disclosed |