Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1399414 | 0.90 | HTR2A (0.55) | HTR2AALDH1A1HTR6KDM4EGSK3B | |
| SCHEMBL1399251 | 0.83 | GPR84 (0.42) | ALDH1A1KDM4EGSK3BGPR84KMT2A | |
| SCHEMBL1399447 | 0.78 | HTR2A (0.55) | HTR2AALDH1A1HTR6KDM4EADRB2 | |
| SCHEMBL1399324 | 0.76 | GPR84 (0.42) | ALDH1A1KDM4EGSK3BGPR84KMT2A | |
| SCHEMBL379053 | 0.73 | ADRB2 (0.64) | HTR2AHTR6KDM4EADRB2HTR1D | |
| SCHEMBL1399442 | 0.72 | HTR2A (0.55) | HTR2AHTR6HTR1DKMT2ACAMK2D | |
| SCHEMBL332959 | 0.72 | HTR2A (1.00) | HTR2AHTR6KDM4EADRB2HTR1D | |
| Hydrochloric Acid SCHEMBL7681619 | 0.72 | ADRB2 (0.62) | HTR2AHTR6KDM4EADRB2HTR1D | |
| SCHEMBL1399473 | 0.71 | MAPT (0.49) | HTR2AALDH1A1HTR6KDM4EHTR1D | |
| SCHEMBL20587810 | 0.70 | HTR2A (0.61) | HTR2AHTR6ADRB2HTR1DGPR84 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1860100-B1 | 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI | LUNDBECK & CO AS H (DK) | 2011-03-02 | — | — | EP | claimed |