Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MMP2 | P08253 | 5/20 | 0.48 |
| ▸ | MMP3 | P08254 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HRH2 | P25021 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24450219 | 0.86 | ALDH1A1 (0.50) | ALDH1A1MAPTMMP2MMP3HPGD | |
| SCHEMBL19962760 | 0.84 | TDP1 (0.61) | ALDH1A1MAPTMMP2MMP3HPGD | |
| SCHEMBL18979622 | 0.82 | MMP2 (0.50) | ALDH1A1MAPTMMP2MMP3HPGD | |
| SCHEMBL14601374 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MMP2MMP3HPGDHRH3 | |
| SCHEMBL21227055 | 0.82 | TDP1 (0.47) | ALDH1A1MAPTMMP2HPGDTDP1 | |
| SCHEMBL16437757 | 0.82 | MMP2 (0.51) | ALDH1A1MAPTMMP2MMP3HPGD | |
| SCHEMBL16437754 | 0.82 | MMP2 (0.51) | ALDH1A1MAPTMMP2MMP3HPGD | |
| SCHEMBL21104435 | 0.81 | MAPT (0.50) | ALDH1A1MAPTMMP2MMP3HPGD | |
| SCHEMBL1714720 | 0.81 | ALDH1A1 (0.51) | ALDH1A1MAPTMMP2MMP3HPGD | |
| SCHEMBL21104362 | 0.81 | MAPT (0.50) | ALDH1A1MAPTMMP2MMP3HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6008401-A | CONDENSATION REACTION BETWEEN 4-HALO OR NITRO SUBSTITUTED BENZONITRILE DERIVATIVE AND OTICALLY ACTIVE ALCOHOL PRODUCES AN OPTICALLY ACTIVE ALKOXYBENZONITRILE DERIVATIVE | NIPPON OIL CO., LTD. (JP) | 1999-12-28 | — | — | US | disclosed |