Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28649192 | 0.83 | NPC1 (0.48) | NPC1SMN1; SMN2RAB9APOLBKDM4E | |
| SCHEMBL28637114 | 0.80 | NPSR1 (0.46) | NPC1SMN1; SMN2RAB9APOLBKDM4E | |
| SCHEMBL28651312 | 0.80 | POLB (0.45) | NPC1SMN1; SMN2RAB9AALDH1A1POLB | |
| SCHEMBL11145541 | 0.78 | NPC1 (0.54) | NPC1SMN1; SMN2RAB9AALDH1A1POLB | |
| SCHEMBL31234028 | 0.78 | SMN1; SMN2 (0.67) | NPC1SMN1; SMN2RAB9AALDH1A1POLB | |
| SCHEMBL3709509 | 0.74 | KDM4E (0.51) | NPC1SMN1; SMN2RAB9AALDH1A1TSHR | |
| SCHEMBL31026228 | 0.74 | RIPK1 (0.61) | NPC1SMN1; SMN2RAB9AALDH1A1POLB | |
| SCHEMBL20236266 | 0.73 | CYP2C9 (0.65) | NPC1SMN1; SMN2RAB9AALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL3713052 | 0.73 | POLB (0.58) | NPC1SMN1; SMN2RAB9AALDH1A1POLB | |
| SCHEMBL26827904 | 0.73 | MAPT (0.50) | NPC1SMN1; SMN2RAB9AALDH1A1TSHR |
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-112759549-A | 3-substituted amino-4- ((substituted pyridyl) amino) cyclobut-3-ene-1, 2-diones | 中国医学科学院药物研究所 | 2021-05-07 | — | — | CN | disclosed |