Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | BPTF | Q12830 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8665479 | 0.85 | NPC1 (0.46) | SMN1; SMN2MAPTLMNARAB9AKDM4E | |
| SCHEMBL8997933 | 0.79 | MAPT (0.32) | SMN1; SMN2MAPTSLC6A9KDM4ETSHR | |
| SCHEMBL27469239 | 0.78 | NUDT1 (0.51) | LMNATSHRBPTFNUDT1 | |
| SCHEMBL27469238 | 0.78 | NUDT1 (0.51) | LMNATSHRBPTFNUDT1 | |
| SCHEMBL18110505 | 0.77 | SMN1; SMN2 (0.39) | SMN1; SMN2MAPTLMNARAB9AXBP1 | |
| SCHEMBL30100998 | 0.76 | CNR2 (0.53) | DRD4DRD3 | |
| SCHEMBL30100985 | 0.75 | BRD4 (0.40) | SMN1; SMN2MAPTRAB9AKDM4ETSHR | |
| SCHEMBL18110503 | 0.73 | BRD4 (0.41) | SMN1; SMN2MAPTRAB9AKDM4ETSHR | |
| SCHEMBL19690771 | 0.71 | — | — | |
| SCHEMBL8917481 | 0.71 | DRD3 (0.54) | DRD4DRD3KDM4ETSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5852006-A | N-aminoalkyl-substituted nitrogen-containing six membered heterocyclic compounds | NIPPON CHEMIPHAR CO., LTD. (JP) | 1998-12-22 | — | — | US | disclosed |
| US-5574030-A | INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES | NIPPON CHEMIPHAR CO., LTD. (JP) | 1996-11-12 | — | — | US | disclosed |