Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28289417 | 0.95 | ALDH1A1 (0.41) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2361631 | 0.90 | ALDH1A1 (0.44) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6302334 | 0.85 | ALDH1A1 (0.37) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6309532 | 0.85 | ALDH1A1 (0.37) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL17288867 | 0.85 | PLA2G4A (0.50) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6302961 | 0.83 | ALDH1A1 (0.38) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6302477 | 0.83 | ALDH1A1 (0.38) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2818118 | 0.83 | CYP1A2 (0.41) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4324414 | 0.82 | ALDH1A1 (0.54) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6304219 | 0.81 | ALDH1A1 (0.39) | ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453831-A1 | 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES | Neurogen Corporation (US) | 2004-09-08 | — | — | EP | claimed |
| US-6673811-B1 | TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS | NEUROGEN CORPORATION | 2004-01-06 | — | — | US | claimed |
| WO-2003044018-A1 | 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES | NEUROGEN CORPORATION (US) | 2003-05-30 | — | — | WO | claimed |
| CN-109516955-A | Nitrogenous five-membered aromatic heterocyclic compounds and its preparation method and application | 华东师范大学 | 2019-03-26 | — | — | CN | disclosed |
| US-6673811-B1 | TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS | NEUROGEN CORPORATION | 2004-01-06 | — | — | US | disclosed |