Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.72 |
| ▸ | RAB9A | P51151 | 6/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.72 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.72 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.72 |
| ▸ | RELA | Q04206 | 4/20 | 0.72 |
| ▸ | TP53 | P04637 | 3/20 | 0.72 |
| ▸ | PKM | P14618 | 3/20 | 0.72 |
| ▸ | MAPT | P10636 | 4/20 | 0.67 |
| ▸ | MAOB | P27338 | 1/20 | 0.67 |
| ▸ | NAMPT | P43490 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 3/20 | 0.58 |
| ▸ | HTR2A | P28223 | 2/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.56 |
| ▸ | LDHA | P00338 | 1/20 | 0.55 |
| ▸ | LDHB | P07195 | 1/20 | 0.55 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4554056 | 0.92 | MAPT (0.68) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL14458188 | 0.86 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL12692434 | 0.85 | NPC1 (0.78) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL382910 | 0.84 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28367564 | 0.82 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL19675330 | 0.82 | NPC1 (0.78) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL15879125 | 0.82 | NPC1 (0.78) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL6350744 | 0.81 | NPC1 (0.81) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL20016692 | 0.81 | P2RX1 (0.70) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28367238 | 0.80 | NPC1 (0.79) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110878070-B | Method for preparing asymmetric urea compound | 中国科学院化学研究所 | 2021-08-31 | — | — | CN | disclosed |
| CN-110878070-A | Method for preparing asymmetric urea compound | 中国科学院化学研究所 | 2020-03-13 | — | — | CN | disclosed |