Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.39 |
| ▸ | HTR3B | O95264 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11844974 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRSIGMAR1SCN2ARAB9A | |
| SCHEMBL11838683 | 0.82 | SIGMAR1 (0.42) | ALDH1A1SIGMAR1SCN2ASMN1; SMN2PLAU | |
| SCHEMBL11836951 | 0.81 | SIGMAR1 (0.53) | ALDH1A1SIGMAR1PLAU | |
| SCHEMBL11836941 | 0.81 | SIGMAR1 (0.53) | ALDH1A1SIGMAR1PLAU | |
| SCHEMBL11836298 | 0.77 | SIGMAR1 (0.69) | SIGMAR1SCN2AHTR3EHTR3BHTR3A | |
| SCHEMBL11836287 | 0.77 | SIGMAR1 (0.69) | SIGMAR1SCN2AHTR3EHTR3BHTR3A | |
| SCHEMBL7456806 | 0.76 | SIGMAR1 (0.58) | SIGMAR1PLAUHTR3EHTR3BHTR3A | |
| SCHEMBL11692693 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TSHRRAB9ASMN1; SMN2PLAU | |
| SCHEMBL16937417 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TSHRRAB9ASMN1; SMN2PLAU | |
| SCHEMBL28050186 | 0.72 | ALDH1A1 (0.46) | ALDH1A1TSHRRAB9ASMN1; SMN2PLAU |
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 |
|---|---|---|---|---|---|---|---|
| US-3954995-A | Mono-and disubstituted hydroxyguanidines in the treatment of depression | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-05-04 | — | — | US | claimed |