Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 6/20 | 0.42 |
| ▸ | HTR7 | P34969 | 6/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17955455 | 0.85 | IDO1 (0.45) | CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1 | |
| SCHEMBL15061998 | 0.81 | IDO1 (0.55) | CYP2D6CYP2C19ALDH1A1HTTTDP1 | |
| SCHEMBL29701155 | 0.75 | HTT (0.64) | ALDH1A1HTTMEN1KMT2AIDO1 | |
| SCHEMBL10603372 | 0.74 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1 | |
| SCHEMBL10787315 | 0.73 | ALDH1A1 (0.58) | CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1 | |
| SCHEMBL12384894 | 0.73 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1 | |
| SCHEMBL12449586 | 0.72 | LMNA (0.52) | ALDH1A1HTTNPSR1MEN1KMT2A | |
| SCHEMBL15076174 | 0.72 | IDO1 (0.47) | ALDH1A1HTTTDP1MEN1KMT2A | |
| SCHEMBL12218602 | 0.72 | CYP2D6 (1.00) | CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1 | |
| SCHEMBL11133824 | 0.72 | ALDH1A1 (0.60) | CYP1A2CYP2D6CYP2C19HSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |