Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 2/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7684130 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MAPK1TSHRF2PRSS1 | |
| SCHEMBL29749404 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPK1TSHRF2PRSS1 | |
| SCHEMBL8926621 | 0.86 | TSHR (0.48) | ALDH1A1TSHRGAAMAPTLMNA | |
| SCHEMBL10773283 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPK1TSHRF2PRSS1 | |
| SCHEMBL5700815 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MAPTLMNACYP3A4CYP2C19 | |
| SCHEMBL9564338 | 0.83 | PDK1 (0.46) | ALDH1A1HPGDGAAMAPTLMNA | |
| SCHEMBL8803643 | 0.83 | TDP1 (0.49) | ALDH1A1MAPK1MAPTTDP1MEN1 | |
| SCHEMBL5459520 | 0.82 | TSHR (0.51) | ALDH1A1MAPK1TSHRF2PRSS1 | |
| SCHEMBL8805421 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNACYP1A2CYP3A4 | |
| SCHEMBL5487986 | 0.80 | SLC6A3 (0.57) | ALDH1A1TSHRLMNAHTTSLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0569138-B1 | Preparation of polycyclic dyes | BASF AG (DE) | 1997-08-20 | — | — | EP | disclosed |
| US-5304659-A | Preparation of polycyclic dyes | ZENECA LIMITED (GB) | 1994-04-19 | — | — | US | disclosed |
| EP-0569138-A1 | Preparation of polycyclic dyes | ZENECA LIMITED (GB) | 1993-11-10 | — | — | EP | disclosed |