Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4219635 | 0.89 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL4224336 | 0.87 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL4224826 | 0.84 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL4231548 | 0.83 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL4230203 | 0.83 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL4220877 | 0.83 | P2RX7 (0.57) | NPC1RAB9AP2RX7 | |
| SCHEMBL4224931 | 0.81 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL4224669 | 0.81 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL13952115 | 0.80 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL4219512 | 0.80 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009026248-A2 | HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) | 2009-02-26 | — | — | WO | claimed |
| WO-2009026248-A2 | HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) | 2009-02-26 | — | — | WO | disclosed |