Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.62 |
| ▸ | CA2 | P00918 | 3/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.62 |
| ▸ | MMP1 | P03956 | 1/20 | 0.61 |
| ▸ | MMP2 | P08253 | 1/20 | 0.61 |
| ▸ | MMP9 | P14780 | 1/20 | 0.61 |
| ▸ | MMP8 | P22894 | 1/20 | 0.61 |
| ▸ | MMP13 | P45452 | 1/20 | 0.61 |
| ▸ | IDO1 | P14902 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | GFER | P55789 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL28865482 | 0.96 | CA1 (0.67) | CA1CA2CA12CA9MMP1 | |
| SCHEMBL58191 | 0.96 | CA1 (0.67) | CA1CA2CA12CA9MMP1 | |
| Pyridine SCHEMBL8669427 | 0.92 | GAA (0.57) | CA1CA2CA12CA9MMP1 | |
| SCHEMBL7530654 | 0.89 | PKM (0.75) | CA1CA2CA12CA9MMP1 | |
| SCHEMBL31500692 | 0.86 | MMP2 (0.59) | CA1CA2CA12CA9MMP1 | |
| Sulfanilamide SCHEMBL11380883 | 0.82 | CA1 (0.73) | CA1CA2CA12CA9IDO1 | |
| Acetanilide SCHEMBL397904 | 0.82 | NAPRT (0.79) | CA1CA2CA12CA9IDO1 | |
| SCHEMBL8247039 | 0.82 | ALDH1A1 (0.48) | CA1CA2CA12CA9MMP1 | |
| SCHEMBL29141323 | 0.82 | CA1 (0.50) | CA1CA2CA12CA9MMP1 | |
| SCHEMBL12011007 | 0.81 | CA12 (0.69) | CA1CA2CA12CA9HSD17B10 |
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-1067928-A4 | METHODS FOR INHIBITING MRP1 | LILLY CO ELI (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-1067928-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051228-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 1999-10-14 | — | — | WO | disclosed |