Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MGLL | Q99685 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | STAT1 | P42224 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CFD | P00746 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CTSV | O60911 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL22497489 | 0.87 | KDM4E (0.61) | RAB9ANPC1KDM4EMGLLHCAR2 | |
| SCHEMBL2233522 | 0.85 | NPC1 (0.69) | RAB9ANPC1KDM4EMGLLLMNA | |
| SCHEMBL26030821 | 0.81 | CASP3 (0.62) | RAB9ANPC1KDM4EMGLLGAA | |
| SCHEMBL5055502 | 0.80 | NPC1 (0.58) | RAB9ANPC1MGLLHCAR2CFD | |
| SCHEMBL7122137 | 0.80 | MGLL (0.65) | RAB9ANPC1MGLLMEN1KMT2A | |
| SCHEMBL22497537 | 0.78 | TRPV1 (0.58) | RAB9ANPC1MGLLMEN1KMT2A | |
| SCHEMBL22497529 | 0.78 | GRIK1 (0.59) | RAB9ANPC1MGLLGAAMEN1 | |
| SCHEMBL30279458 | 0.78 | GRIK1 (0.59) | RAB9ANPC1MGLLGAAMEN1 | |
| SCHEMBL10489819 | 0.76 | KMT2A (0.63) | RAB9ANPC1KDM4EGAALMNA | |
| SCHEMBL8115672 | 0.76 | ALDH1A1 (0.63) | RAB9ANPC1KDM4EMGLLLMNA |
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-2020199945-A1 | ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国医学科学院药物研究所 | 2020-10-08 | — | — | WO | disclosed |
| WO-2020199945-A1 | ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国医学科学院药物研究所 | 2020-10-08 | — | — | WO | disclosed |