Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9924424 | 0.86 | TRPV1 (0.45) | ALDH1A1CHRM1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL17206711 | 0.85 | CHRM1 (0.38) | ALDH1A1CHRM1ARMCHR1DRD2 | |
| SCHEMBL9924156 | 0.85 | CHRM1 (0.45) | ALDH1A1CHRM1ARMCHR1DRD2 | |
| SCHEMBL17206685 | 0.85 | MEN1 (0.49) | ALDH1A1CHRM1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL9924270 | 0.83 | HPGD (0.40) | ALDH1A1CHRM1SMN1; SMN2MCHR1LMNA | |
| SCHEMBL9924259 | 0.82 | CHRM1 (0.38) | ALDH1A1CHRM1POLBMCHR1DRD2 | |
| SCHEMBL17206702 | 0.82 | CHRM1 (0.38) | ALDH1A1CHRM1POLBMCHR1DRD2 | |
| SCHEMBL9924228 | 0.82 | CHRM1 (0.38) | ALDH1A1CHRM1POLBMCHR1DRD2 | |
| SCHEMBL9924432 | 0.82 | CHRM1 (0.43) | ALDH1A1CHRM1SMN1; SMN2POLBMCHR1 | |
| SCHEMBL17206716 | 0.82 | CHRM1 (0.43) | ALDH1A1CHRM1SMN1; SMN2POLBMCHR1 |
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-9169199-B2 | Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2015-10-27 | — | — | US | disclosed |
| WO-2012078867-A2 | CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORPORATION (US) | 2012-06-14 | — | — | WO | disclosed |