Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.65 |
| ▸ | MGLL | Q99685 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 6/20 | 0.45 |
| ▸ | CA1 | P00915 | 6/20 | 0.45 |
| ▸ | CA9 | Q16790 | 6/20 | 0.45 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | PHGDH | O43175 | 3/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL980821 | 0.93 | ALDH1A1 (0.68) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL11718644 | 0.92 | MGLL (0.58) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL11295720 | 0.92 | MGLL (0.58) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL11011503 | 0.91 | ALDH1A1 (0.65) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL1902072 | 0.91 | ALDH1A1 (0.65) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL10802513 | 0.89 | ALDH1A1 (0.63) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL3166492 | 0.88 | ALDH1A1 (0.61) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL21221384 | 0.87 | ALDH1A1 (0.59) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL11720450 | 0.86 | CA12 (0.48) | ALDH1A1ALDH2MGLLCA12CA1 | |
| SCHEMBL14507928 | 0.86 | ALDH1A1 (0.59) | ALDH1A1ALDH2MGLLCA12CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1045309-C | Sulfurized aqueous machining fluid composition | CINCINNATI MILACRON INC (US) | 1999-09-29 | — | — | CN | disclosed |
| EP-0656415-B1 | Sulfurized aqueous machining fluid composition | CINCINNATI MILACRON INC (US) | 1997-10-08 | — | — | EP | disclosed |
| CN-1120067-A | Sulfurized aqueous machining fluid composition | CINCINNATI MILACRON INC (US) | 1996-04-10 | — | — | CN | disclosed |
| EP-0656415-A1 | Sulfurized aqueous machining fluid composition | CINCINNATI MILACRON INC. (US) | 1995-06-07 | — | — | EP | disclosed |
| US-5391310-A | Mixture of water and an organosulfur compound | CINCINNATI MILACRON INC. (US) | 1995-02-21 | — | — | US | disclosed |