Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5092225 | 0.84 | NPC1 (0.57) | ALDH1A1POLBPARP1HTTKDM4E | |
| SCHEMBL28496853 | 0.83 | AURKA (0.51) | ALDH1A1AURKARPS6KB1PARP1KDM4E | |
| SCHEMBL22362588 | 0.82 | ALDH1A1 (0.44) | ALDH1A1POLBAURKARPS6KB1PARP1 | |
| SCHEMBL828076 | 0.82 | ALDH1A1 (0.48) | ALDH1A1POLBAURKARPS6KB1PARP1 | |
| SCHEMBL1742849 | 0.82 | ADRB1 (0.47) | ALDH1A1PARP1HTTKDM4ECYP1A2 | |
| SCHEMBL21490268 | 0.81 | PARP1 (0.41) | ALDH1A1AURKARPS6KB1PARP1HTT | |
| SCHEMBL4807592 | 0.80 | ALDH1A1 (0.67) | ALDH1A1POLBHTTKDM4EAKR1C3 | |
| SCHEMBL3436619 | 0.79 | ALDH1A1 (0.50) | ALDH1A1POLBHTTKDM4EMAPT | |
| SCHEMBL4714644 | 0.78 | FAAH (0.50) | AURKARPS6KB1PARP1AKR1C3HSD17B10 | |
| SCHEMBL6695035 | 0.78 | AURKA (0.50) | ALDH1A1AURKARPS6KB1PARP1HTT |
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-3256452-A1 | INHIBITORS OF NECROPTOSIS | Catalyst Therapeutics Pty Ltd. (AU) | 2017-12-20 | — | — | EP | disclosed |
| WO-2016127213-A1 | INHIBITORS OF NECROPTOSIS | CATALYST THERAPEUTICS PTY LTD (AU) | 2016-08-18 | — | — | WO | disclosed |