Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19844319 | 0.84 | ADRA2A (0.36) | ADRA2AMAPTADRA2BADRA2C | |
| SCHEMBL20969746 | 0.78 | TAAR1 (0.58) | TAAR1HTR2ACYP2A6CYP1A2BACE1 | |
| SCHEMBL8285137 | 0.77 | TAAR1 (0.40) | TAAR1HTR2AHTR2CHTR2BCYP2A6 | |
| SCHEMBL10541311 | 0.77 | MAPT (0.38) | KDM4EADRA2AALDH1A1TP53MAPT | |
| SCHEMBL64200 | 0.75 | TAAR1 (0.53) | TAAR1HTR2AHTR2CHTR2BCYP2A6 | |
| SCHEMBL23812103 | 0.75 | TLR8 (0.33) | HTR2A | |
| SCHEMBL8337999 | 0.74 | TAAR1 (0.64) | TAAR1HTR2AHTR2CHTR2BCYP2A6 | |
| Phenethylamine SCHEMBL28246304 | 0.74 | HTR2A (0.61) | TAAR1HTR2ACYP2A6CYP1A2SMN1; SMN2 | |
| SCHEMBL20059794 | 0.73 | ACHE (0.39) | KDM4EADRA2AMAPTRECQLADRA2B | |
| SCHEMBL12229096 | 0.72 | MAPT (0.41) | KDM4EADRA2AALDH1A1TP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008082692-A9 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIV NEW JERSEY MED (US) | 2008-12-31 | — | — | WO | disclosed |
| WO-2008082692-A2 | ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) | 2008-07-10 | — | — | WO | disclosed |