Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
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 SCHEMBL509568 | 0.98 | DHFR (0.44) | DHFRCYP1A2PTPN1HPGDLMNA | |
| SCHEMBL509116 | 0.88 | DHFR (0.46) | DHFRCYP1A2PTPN1HPGDLMNA | |
| SCHEMBL11377936 | 0.85 | DHFR (0.49) | DHFRCYP1A2PTPN1HPGDALDH1A1 | |
| SCHEMBL10389070 | 0.85 | DHFR (0.46) | DHFRCYP1A2HPGDKDM4EALDH1A1 | |
| SCHEMBL510084 | 0.85 | GRM2 (0.46) | HPGDRAD52ADORA2AMEN1KMT2A | |
| SCHEMBL509605 | 0.84 | CYP1A2 (0.50) | DHFRCYP1A2HPGDLMNAKDM4E | |
| SCHEMBL509907 | 0.82 | HSP90AA1 (0.56) | DHFRPTPN1HPGDKDM4EALDH1A1 | |
| SCHEMBL509700 | 0.79 | RAD52 (0.48) | DHFRHPGDLMNAKDM4EALDH1A1 | |
| SCHEMBL509882 | 0.78 | RAD52 (0.64) | DHFRKDM4EGAARAD52MEN1 | |
| SCHEMBL509564 | 0.77 | ADORA2A (0.47) | CYP1A2HPGDLMNAKDM4EALDH1A1 |
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-2099765-B1 | 5, 6, OR 7-SUBSTITUTED-3-ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS | REXAHN PHARMACEUTICALS INC (US) | 2012-08-29 | — | — | EP | disclosed |
| EP-2423196-A1 | 5, 6 or 7-substituted-3-phenylisoquinolinamine derivatives and therapeutic use thereof | Rexahn Pharmaceuticals, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |