Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | PDE2A | O00408 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.49 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.49 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28744999 | 0.90 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL10175659 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL16953932 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1CYP3A4KDM4E | |
| SCHEMBL14220842 | 0.85 | KDM4E (0.49) | ALDH1A1TSHRTDP1CYP3A4KDM4E | |
| SCHEMBL6596247 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL16975448 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL15835003 | 0.84 | POLB (0.52) | ALDH1A1TSHRTDP1CYP3A4KDM4E | |
| SCHEMBL14768876 | 0.83 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL7122749 | 0.82 | TDP1 (0.55) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL27865322 | 0.82 | CYP1A2 (0.50) | ALDH1A1TSHRTDP1CYP3A4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4734532-A | HIGH SPEED OXIDATIVE DIMERIZATION OF 4-NITROTOLUENE | BAYER AKTIENGESELLSCHAFT (DE) | 1988-03-29 | — | — | US | claimed |
| EP-0206147-B1 | PROCESS FOR THE PREPARATION OF 4,4'-DINITRODIBENZYLS | BAYER AG (DE) | 1990-02-28 | — | — | EP | disclosed |
| US-4734532-A | HIGH SPEED OXIDATIVE DIMERIZATION OF 4-NITROTOLUENE | BAYER AKTIENGESELLSCHAFT (DE) | 1988-03-29 | — | — | US | disclosed |
| EP-0206147-A2 | Process for the preparation of 4,4'-dinitrodibenzyls | BAYER AG (DE) | 1986-12-30 | — | — | EP | disclosed |