Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAM | P19021 | 2/20 | 0.45 |
| ▸ | MMP12 | P39900 | 2/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8921953 | 0.89 | MMP12 (0.39) | PAMMMP12CYP1A2ALDH1A1ALPI | |
| SCHEMBL8922511 | 0.84 | PPARA (0.42) | MMP12CYP1A2SLC7A5CYP2C9CYP2C19 | |
| SCHEMBL2292391 | 0.78 | CTSK (0.56) | MMP12CYP1A2ALDH1A1ALPIPKM | |
| SCHEMBL3008826 | 0.78 | CTSK (0.56) | MMP12CYP1A2ALDH1A1ALPIPKM | |
| SCHEMBL1114427 | 0.77 | CPA3 (0.54) | MMP12CYP1A2ALDH1A1ALPIPKM | |
| SCHEMBL8921434 | 0.76 | ALDH1A1 (0.46) | MMP12CYP1A2ALDH1A1ALPIPKM | |
| SCHEMBL12378816 | 0.75 | CTSK (0.56) | MMP12CYP1A2ALDH1A1ALPIPKM | |
| SCHEMBL2289952 | 0.75 | CTSK (0.56) | MMP12CYP1A2ALDH1A1ALPIPKM | |
| SCHEMBL8811765 | 0.75 | MMP12 (0.48) | MMP12CYP1A2ALDH1A1ALPIPKM | |
| SCHEMBL8200240 | 0.74 | MMP12 (0.43) | MMP12CYP1A2ALDH1A1ALPIPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633379-A | N-METHYLASPARTIC ACID ANTAGONIST | CIBA-GEIGY CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |
| EP-0685466-A1 | 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives | CIBA-GEIGY AG (CH) | 1995-12-06 | — | — | EP | disclosed |