Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Andolast. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 4/20 | 0.50 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | MMP8 | P22894 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 2/20 | 0.46 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.45 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Andolast SCHEMBL1551317 | 1.00 | XDH (0.50) | XDHHPSEPTPN1GPR35MMP2 | |
| Andolast SCHEMBL1615202 | 0.98 | XDH (0.49) | XDHHPSEPTPN1GPR35MMP2 | |
| Andolast SCHEMBL1613902 | 0.98 | XDH (0.49) | XDHHPSEPTPN1GPR35MMP2 | |
| Andolast SCHEMBL166170 | 0.98 | XDH (0.51) | XDHHPSEPTPN1GPR35MMP2 | |
| SCHEMBL3880312 | 0.89 | HDAC3 (0.56) | NPC1RAB9AMEN1LMNAKMT2A | |
| SCHEMBL28803661 | 0.86 | XDH (0.66) | XDHGPR35NPC1RAB9AMEN1 | |
| SCHEMBL28803588 | 0.85 | XDH (0.67) | XDHPOLBGAANPC1RAB9A | |
| SCHEMBL9341821 | 0.85 | MEN1 (0.50) | PTPN1POLBMEN1PKMKMT2A | |
| SCHEMBL9589707 | 0.85 | NPC1 (0.49) | PTPN1MMP2MMP9MMP8MMP13 | |
| SCHEMBL28803581 | 0.83 | XDH (0.68) | XDHNPC1RAB9AMEN1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8809306-B2 | Combination andolast/glucocorticoids | ROTTAPHARM S.P.A. (IT) | 2014-08-19 | — | — | US | disclosed |
| US-20090253664-A1 | COMBINATION ANDOLAST/GLUCOCORTICOIDS | ROTTAPHARM BIOTECH S.R.L. (IT) | 2009-10-08 | — | — | US | disclosed |
| EP-2054057-A1 | COMBINATION ANDOLAST/GLUCOCORTICOIDS | Rottapharm S.p.A. (IT) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008014814-A1 | COMBINATION ANDOLAST/GLUCOCORTICOIDS | ROTTAPHARM S.P.A. (IT) | 2008-02-07 | — | — | WO | disclosed |