Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9056096 | 0.89 | CRHBP (0.37) | POLBCRHBPCRHR2ALDH1A1HPGD | |
| SCHEMBL9054862 | 0.83 | POLB (0.40) | POLBCRHBPCRHR2LRRK2ALDH1A1 | |
| SCHEMBL9055492 | 0.74 | HTT (0.54) | POLBALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL9055262 | 0.70 | TYMS (0.47) | POLBLRRK2ALDH1A1MAPTMAPK1 | |
| SCHEMBL9055272 | 0.69 | CTSB (0.40) | ALDH1A1MAPTCTSBMEN1KMT2A | |
| SCHEMBL11811062 | 0.69 | TDP1 (0.55) | POLBALDH1A1HPGDMAPTGAA | |
| SCHEMBL9055280 | 0.69 | ALDH1A1 (0.47) | ALDH1A1MAPTMAPK1KDM4EGAA | |
| SCHEMBL9055020 | 0.69 | TDP1 (0.42) | POLBALDH1A1MAPTSMN1; SMN2GAA | |
| SCHEMBL16756262 | 0.65 | MAPT (0.59) | POLBCRHBPCRHR2ALDH1A1HPGD | |
| SCHEMBL16756260 | 0.65 | MAPT (0.59) | POLBCRHBPCRHR2ALDH1A1HPGD |
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-5545744-A | Cyano naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-08-13 | — | — | US | disclosed |
| US-5498727-A | Preparation of benzindole compounds from naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002502-A1 | PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | disclosed |