Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21268787 | 0.88 | PARP1 (0.42) | PARP1NPC1RAB9AADRB1ALDH1A1 | |
| SCHEMBL21281500 | 0.86 | ADRA1A (0.45) | PARP1ATMADRA1AADRA1DADRA1B | |
| SCHEMBL21273954 | 0.85 | PARP1 (0.45) | PARP1ALDH1A1HRH3HTR3EKDM4E | |
| SCHEMBL21273937 | 0.83 | ADRA1A (0.37) | PARP1NPC1RAB9AADRB1ALDH1A1 | |
| SCHEMBL21281585 | 0.82 | PARP1 (0.44) | PARP1NPC1RAB9AADRB1ALDH1A1 | |
| SCHEMBL21281450 | 0.81 | HRH3 (0.42) | HRH3 | |
| SCHEMBL21274394 | 0.81 | NPC1 (0.37) | PARP1NPC1RAB9AATMADRA1A | |
| SCHEMBL21268806 | 0.81 | HRH3 (0.42) | HRH3 | |
| SCHEMBL21274058 | 0.81 | SLC18A3 (0.36) | PARP1NPC1RAB9AADRB1ALDH1A1 | |
| SCHEMBL21285605 | 0.81 | ADRA1B (0.38) | PARP1ALDH1A1ATMADRA1AADRA1D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019158731-A1 | PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES | UCB BIOPHARMA SPRL (BE) | 2019-08-22 | — | — | WO | disclosed |