Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 12/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7677447 | 0.99 | CRHR1 (0.53) | CRHR1ABCB1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL7684260 | 0.94 | CRHR1 (0.48) | CRHR1ABCB1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL7676298 | 0.93 | CRHR1 (0.48) | CRHR1ABCB1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL7554809 | 0.83 | CRHR1 (0.56) | CRHR1 | |
| SCHEMBL7684445 | 0.77 | TSHR (0.40) | CRHR1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL7681592 | 0.76 | CRHR1 (0.58) | CRHR1ABCB1KDM4EALDH1A1CYP3A4 | |
| SCHEMBL7791101 | 0.76 | CRHR1 (0.48) | CRHR1ABCB1KDM4EBCHEACHE | |
| SCHEMBL7681407 | 0.74 | CRHR1 (0.54) | CRHR1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL7680077 | 0.74 | CRHR1 (0.57) | CRHR1ABCB1 | |
| SCHEMBL7557048 | 0.73 | CRHR1 (0.52) | CRHR1KDM4E |
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 |