Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28110239 | 0.84 | NPC1 (0.60) | MEN1KMT2AMAPTALDH1A1ATM | |
| SCHEMBL4904960 | 0.81 | NPC1 (0.56) | MEN1KMT2AMAPTALDH1A1ATM | |
| SCHEMBL28028289 | 0.80 | MEN1 (0.55) | MEN1KMT2AMAPTALDH1A1ATM | |
| SCHEMBL27160228 | 0.80 | NPC1 (0.58) | MEN1KMT2AMAPTALDH1A1ATM | |
| SCHEMBL27985022 | 0.80 | MEN1 (0.48) | MEN1KMT2AMAPTALDH1A1ATM | |
| SCHEMBL28110839 | 0.77 | RAB9A (0.44) | MEN1KMT2AMAPTALDH1A1ATM | |
| SCHEMBL4905327 | 0.76 | NPC1 (0.62) | MEN1KMT2AMAPTALDH1A1NPC1 | |
| SCHEMBL12681346 | 0.76 | RAB9A (0.64) | MEN1KMT2AMAPTALDH1A1NPC1 | |
| SCHEMBL24589922 | 0.75 | ALDH1A1 (0.69) | MEN1KMT2AMAPTALDH1A1ATM | |
| SCHEMBL12164875 | 0.73 | KDM4E (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104024257-A | Quinoxaline inhibitors of PI3K | GILEAD CALISTOGA LLC | 2014-09-03 | — | — | CN | disclosed |