Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA5A | P35218 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | KDM1A | O60341 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11525483 | 0.98 | CA12 (0.59) | TAAR1CA12CA1CA2CA5A | |
| Hydrochloric Acid SCHEMBL17064268 | 0.86 | TAAR1 (0.55) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL27541504 | 0.86 | TAAR1 (0.55) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL6531267 | 0.85 | CHRM2 (0.54) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL28661867 | 0.83 | SMN1; SMN2 (0.65) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL681498 | 0.81 | CHRM2 (0.61) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL834551 | 0.79 | TAAR1 (0.73) | TAAR1CA12CA1CA2CA9 | |
| SCHEMBL23590401 | 0.79 | SMN1; SMN2 (0.62) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL29184235 | 0.79 | SMN1; SMN2 (0.58) | TAAR1CA12CA1CA2CA5A | |
| SCHEMBL29035077 | 0.79 | SMN1; SMN2 (0.58) | TAAR1CA12CA1CA2CA5A |
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-9439968-B2 | Amine-containing lipidoids and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-09-13 | — | — | US | disclosed |