Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.47 |
| ▸ | DPP4 | P27487 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5238596 | 0.79 | KMT2A (0.72) | KMT2AHTTRAB9ATDP1TSHR | |
| SCHEMBL2324149 | 0.79 | POLB (0.54) | KMT2ADPP7DPP4RAB9ANPC1 | |
| SCHEMBL18129800 | 0.77 | DPP7 (0.51) | KMT2AHTTDPP7DPP4RAB9A | |
| SCHEMBL9988069 | 0.76 | KMT2A (0.57) | KMT2AHTTRAB9ANPC1LMNA | |
| SCHEMBL16271579 | 0.75 | DPP4 (0.51) | KMT2ADPP7DPP4RAB9ANPC1 | |
| SCHEMBL5255379 | 0.74 | LMNA (0.47) | DPP7DPP4RAB9ANPC1LMNA | |
| SCHEMBL18129500 | 0.74 | SMN1; SMN2 (0.49) | DPP7DPP4RAB9ANPC1LMNA | |
| SCHEMBL23149339 | 0.74 | — | — | |
| SCHEMBL11892682 | 0.72 | DPP4 (0.49) | KMT2ADPP7DPP4RAB9ANPC1 | |
| SCHEMBL7394679 | 0.72 | DPP4 (0.49) | KMT2AHTTDPP7DPP4LMNA |
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-111655681-B | Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases | 莱德克斯制药公共有限公司 | 2024-01-05 | — | — | CN | disclosed |