Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.51 |
| ▸ | DRD4 | P21917 | 3/20 | 0.51 |
| ▸ | DRD3 | P35462 | 3/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | HTR1F | P30939 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL10975438 | 1.00 | DRD2 (0.51) | DRD2DRD4DRD3DRD1MEN1 | |
| SCHEMBL10976075 | 0.85 | DRD2 (0.56) | DRD2DRD4DRD3MEN1KMT2A | |
| SCHEMBL10976073 | 0.85 | DRD2 (0.56) | DRD2DRD4DRD3MEN1KMT2A | |
| SCHEMBL10447740 | 0.82 | DRD2 (0.58) | DRD2DRD4DRD3DRD1CYP1A2 | |
| Hydrochloric Acid SCHEMBL10447759 | 0.81 | DRD2 (0.57) | DRD2DRD4DRD3DRD1CYP1A2 | |
| SCHEMBL10972487 | 0.81 | DRD3 (0.52) | DRD2DRD4DRD3MEN1KMT2A | |
| SCHEMBL10972486 | 0.81 | DRD3 (0.52) | DRD2DRD4DRD3MEN1KMT2A | |
| SCHEMBL4590166 | 0.76 | NPC1 (0.55) | MEN1KMT2ACYP1A2NPSR1MAPT | |
| SCHEMBL1506466 | 0.76 | NPC1 (0.55) | MEN1KMT2ACYP1A2NPSR1MAPT | |
| SCHEMBL1506463 | 0.76 | NPC1 (0.55) | MEN1KMT2ACYP1A2NPSR1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0055043-B1 | 6,7,8,9-TETRAHYDRO-3H-BENZ(E)INDOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND INTERMEDIATES USED THEREIN, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE INDOLAMINE DERIVATIVES | AYERST, MCKENNA AND HARRISON INC. (CA) | 1985-01-23 | — | — | EP | disclosed |
| EP-0055043-A2 | 6,7,8,9-Tetrahydro-3H-benz(e)indolamine derivatives, processes for their preparation and intermediates used therein, and pharmaceutical compositions containing the indolamine derivatives | AYERST, MCKENNA AND HARRISON INC. (CA) | 1982-06-30 | — | — | EP | disclosed |