Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | VDR | P11473 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | VHL | P40337 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL12725681 | 0.77 | MEN1 (0.57) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL2219482 | 0.75 | ALDH1A1 (0.58) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL21045990 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL5553563 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL7128628 | 0.73 | GABRA5 (0.41) | ALDH1A1HTTMEN1KMT2AGABRA5 | |
| SCHEMBL4887193 | 0.73 | GABRA5 (0.44) | ALDH1A1MEN1KMT2AGAAGABRA5 | |
| SCHEMBL21045989 | 0.73 | MEN1 (0.61) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL3374656 | 0.73 | ALDH1A1 (0.60) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL17161188 | 0.73 | ALDH1A1 (0.60) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL8914413 | 0.73 | KMT2A (0.61) | ALDH1A1HTTMEN1KMT2AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004099185-A1 | 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2004-11-18 | — | — | WO | disclosed |