Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17955464 | 0.86 | ALDH1A1 (0.48) | NPSR1HTTTDP1LMNAALDH1A1 | |
| SCHEMBL12301168 | 0.79 | CA12 (0.47) | HTTTDP1LMNACYP2D6CYP2C19 | |
| SCHEMBL11169190 | 0.77 | ALDH1A1 (0.55) | NPSR1HTTTDP1LMNACYP1A2 | |
| SCHEMBL18356052 | 0.76 | HRH1 (0.52) | NPSR1TDP1LMNACYP1A2CYP2D6 | |
| SCHEMBL26075511 | 0.76 | HTT (0.54) | NPSR1HTTTDP1LMNACYP1A2 | |
| SCHEMBL13166929 | 0.75 | ALDH1A1 (0.62) | NPSR1HTTLMNACYP2D6HSD17B10 | |
| SCHEMBL2559650 | 0.75 | LIPE (0.49) | TDP1LMNACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL18294049 | 0.75 | ALDH1A1 (0.56) | NPSR1HTTTDP1LMNACYP1A2 | |
| SCHEMBL10603372 | 0.74 | CYP1A2 (0.58) | NPSR1HTTTDP1LMNACYP1A2 | |
| SCHEMBL8424814 | 0.73 | HPGD (0.62) | HTTLMNAALDH1A1MEN1KMT2A |
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 |