Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL321860 | 0.78 | LOXL2 (0.56) | SMN1; SMN2KMT2AKDM4E | |
| SCHEMBL752626 | 0.74 | TPMT (0.42) | CA2CA1KMT2AMEN1 | |
| SCHEMBL5313733 | 0.72 | MAPK1 (0.56) | ALDH1A1SMN1; SMN2POLBCA2CA1 | |
| SCHEMBL15328960 | 0.71 | GAA (0.60) | GAATSHR | |
| SCHEMBL3090027 | 0.69 | FURIN (0.51) | ALDH1A1SMN1; SMN2KMT2AMAPTCYP1A2 | |
| SCHEMBL8174586 | 0.69 | RAB9A (0.38) | ALDH1A1HTTMAPTKDM4E | |
| SCHEMBL27468790 | 0.67 | CA2 (0.45) | ALDH1A1POLBCA2CA1CA9 | |
| SCHEMBL990775 | 0.65 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2CA2CA1CA9 | |
| SCHEMBL3508130 | 0.64 | NQO2 (0.52) | ALDH1A1KMT2AMEN1LMNAMAPT | |
| SCHEMBL25364110 | 0.64 | DAO (0.39) | ALDH1A1SMN1; SMN2CA2KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2590945-A2 | SERINE PROTEASE INHIBITORS | The Medicines Company (Leipzig) GmbH (DE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004678-A2 | SERINE PROTEASE INHIBITORS | THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |