Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL6970878 | 0.80 | CRHR1 (0.45) | CRHR1CYP1A2CYP2A6PSMB5LMNA | |
| SCHEMBL15856898 | 0.80 | CRHR1 (0.45) | CRHR1CYP1A2CYP2A6PSMB5 | |
| SCHEMBL6972495 | 0.75 | KDM4E (0.52) | CRHR1PKMCYP1A2CYP2A6LMNA | |
| SCHEMBL6975785 | 0.74 | MAPT (0.44) | CRHR1CYP1A2TSHRKDM4EALDH1A1 | |
| SCHEMBL6974732 | 0.72 | CRHR1 (0.50) | CRHR1MAPT | |
| SCHEMBL6972554 | 0.72 | CRHR1 (0.80) | CRHR1 | |
| SCHEMBL7655646 | 0.71 | ADORA2A (0.50) | CYP1A2LMNAKDM4EALDH1A1GAA | |
| SCHEMBL5208334 | 0.70 | NOS3 (0.44) | CYP2A6LMNAKDM4EALDH1A1GAA | |
| SCHEMBL13708137 | 0.70 | ALDH1A1 (0.45) | PKMCYP1A2CYP2A6TSHRKDM4E | |
| SCHEMBL6962812 | 0.69 | NCF1 (0.48) | CRHR1CYP1A2TSHRKDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946520-B1 | ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS | NEUROGEN CORP (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6353103-B1 | STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY. | NEUROGEN CORPORATION | 2002-03-05 | — | — | US | disclosed |
| US-6235752-B1 | CORTICOTROPIN RELEASING FACTOR; PSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2001-05-22 | — | — | US | disclosed |
| US-6114530-A | ISOQUIOLINAMINES AND PHTHALAZINAMINES USEFUL IN TREATING STRESS RELATED DISORDERES SUCH AS POST TRAUMATIC STRESS DISORDER AS WELL AS DEPRESSION, HEADACHE AND ANXIETY | NEUROGEN CORPORATION (US) | 2000-09-05 | — | — | US | disclosed |