Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 6/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.52 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 6/20 | 0.39 |
| ▸ | HTR1A | P08908 | 5/20 | 0.39 |
| ▸ | HTR3A | P46098 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | HTR1B | P28222 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.39 |
| ▸ | HTR5A | P47898 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | HRH2 | P25021 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7684787 | 0.96 | NCF1 (0.55) | NCF1ADRB1ADRB2CRHR1KDR | |
| SCHEMBL7677559 | 0.88 | CRHR1 (0.45) | NCF1ADRB1ADRB2CRHR1HTR1A | |
| SCHEMBL7682689 | 0.83 | CRHR1 (0.51) | NCF1ADRB1ADRB2CRHR1KDR | |
| SCHEMBL7679938 | 0.83 | CRHR1 (0.47) | NCF1ADRB1ADRB2CRHR1PDE10A | |
| SCHEMBL7674433 | 0.82 | NCF1 (0.41) | NCF1CRHR1HTR1AHSD17B10KDM4E | |
| SCHEMBL7681555 | 0.81 | NCF1 (0.44) | NCF1ADRB1ADRB2CRHR1KDR | |
| SCHEMBL7679988 | 0.81 | CRHR1 (0.43) | NCF1CRHR1HTR6 | |
| SCHEMBL7677542 | 0.80 | CRHR1 (0.39) | CRHR1 | |
| SCHEMBL7684798 | 0.78 | CRHR1 (0.51) | CRHR1CYP1A2TSHRHSD17B10KDM4E | |
| SCHEMBL7677573 | 0.78 | CRHR1 (0.39) | CRHR1 |
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-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 | 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 |