Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 12/20 | 1.00 |
| ▸ | NPC1 | O15118 | 8/20 | 1.00 |
| ▸ | RAB9A | P51151 | 8/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.69 |
| ▸ | HPGD | P15428 | 8/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1180905 | 0.76 | KDM4E (0.72) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9862914 | 0.76 | NPC1 (0.61) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL1507816 | 0.75 | KDM4E (0.59) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28352391 | 0.74 | NPC1 (0.58) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL30617191 | 0.73 | KDM4E (0.58) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL3789884 | 0.73 | KDM4E (0.59) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL29025969 | 0.73 | KDM4E (0.57) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL29183414 | 0.71 | KDM4E (0.55) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL10909733 | 0.71 | TSHR (0.74) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4875222 | 0.71 | TSHR (0.74) | KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1 |
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-2010100475-A1 | HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2010-09-10 | — | — | WO | disclosed |