Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | GRK2 | P25098 | 1/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.50 |
| ▸ | PDE1A | P54750 | 3/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.48 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | NPBWR1 | P48145 | 4/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29702224 | 0.80 | TXNRD1 (0.44) | AURKAGRK2ROCK1RPS6KA1HTR2A | |
| SCHEMBL28707949 | 0.78 | HTR2A (0.67) | PDE1APDE1BPDE1CHTR2AHTR2C | |
| SCHEMBL29175819 | 0.78 | ROCK2 (0.61) | AURKAGRK2ROCK1RPS6KA1PDE1A | |
| SCHEMBL28899162 | 0.76 | NPBWR1 (0.56) | AURKAGRK2ROCK1RPS6KA1PDE1A | |
| SCHEMBL27911627 | 0.75 | HTR2C (0.51) | PDE1APDE1BPDE1CHTR2AHTR2C | |
| SCHEMBL11611242 | 0.74 | NPC1 (0.57) | NPC1MITFPKMRAB9APOLB | |
| SCHEMBL5195277 | 0.74 | PDE1B (0.50) | PDE1APDE1BPDE1CMTNR1AMTNR1B | |
| SCHEMBL11611256 | 0.74 | SMN1; SMN2 (0.56) | NPBWR1NPC1RAB9ANPSR1POLB | |
| SCHEMBL13763660 | 0.73 | PDE1A (0.54) | PDE1APDE1BPDE1CHTR2AHTR2C | |
| SCHEMBL24204779 | 0.73 | HASPIN (0.46) | AURKAROCK2NPC1MITFPKM |
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-1940823-A2 | SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007042660-A2 | SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2007-04-19 | — | — | WO | disclosed |