Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 3/20 | 0.51 |
| ▸ | NCF1 | P14598 | 3/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL1637888 | 0.85 | CRHR1 (0.49) | CRHR1PDE10A | |
| SCHEMBL7681774 | 0.83 | CRHR1 (0.48) | CRHR1CYP2D6TSHR | |
| SCHEMBL7681552 | 0.83 | NCF1 (0.52) | CRHR1NCF1ADRB1CYP1A2CYP3A4 | |
| SCHEMBL7682520 | 0.83 | CRHR1 (0.56) | CRHR1CYP3A4CYP2D6 | |
| SCHEMBL7674376 | 0.81 | CRHR1 (0.50) | CRHR1PDE10A | |
| SCHEMBL7684787 | 0.79 | NCF1 (0.55) | CRHR1NCF1ADRB1CYP1A2CYP3A4 | |
| SCHEMBL7560969 | 0.78 | CRHR1 (0.59) | CRHR1CYP1A2 | |
| SCHEMBL7681555 | 0.77 | NCF1 (0.44) | CRHR1NCF1ADRB1CYP1A2CYP3A4 | |
| SCHEMBL7674966 | 0.77 | CRHR1 (0.54) | CRHR1 | |
| SCHEMBL7555469 | 0.77 | CRHR1 (0.58) | CRHR1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362186-B1 | PSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2002-03-26 | — | — | US | claimed |
| US-6362186-B1 | PSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2002-03-26 | — | — | US | disclosed |
| US-6147085-A | Aminoalkyl substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives | NEUROGEN CORPORATION (US) | 2000-11-14 | — | — | US | disclosed |