Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20632312 | 0.86 | PARP1 (0.52) | PARP1HDAC8HDAC6NPC1RAB9A | |
| SCHEMBL19983564 | 0.81 | PARP1 (0.55) | PARP1HDAC8HDAC6NPC1RAB9A | |
| SCHEMBL24045986 | 0.80 | PARP1 (0.46) | PARP1HDAC8HDAC6NPC1RAB9A | |
| SCHEMBL23440116 | 0.80 | F2 (0.48) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL26345894 | 0.80 | PARP1 (0.53) | PARP1HDAC8HDAC6NPC1RAB9A | |
| SCHEMBL18175060 | 0.76 | PARP1 (0.62) | PARP1HDAC8HDAC6NPC1RAB9A | |
| SCHEMBL19156896 | 0.73 | PARP1 (0.53) | PARP1HDAC8HDAC6RAB9ASMN1; SMN2 | |
| SCHEMBL20997854 | 0.73 | PARP1 (0.53) | PARP1HDAC8HDAC6NPC1RAB9A | |
| SCHEMBL11122251 | 0.73 | PARP1 (0.53) | PARP1HDAC8HDAC6SMN1; SMN2ACHE | |
| SCHEMBL19036467 | 0.73 | PARP1 (0.53) | PARP1HDAC8HDAC6RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3173408-A1 | PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL | Taisho Pharmaceutical Co., Ltd. (JP) | 2017-05-31 | — | — | EP | disclosed |