Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR17 | Q13304 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29957147 | 0.82 | CYP2A6 (0.44) | GPR17CYP2A6ERN1IMPDH2TDP1 | |
| SCHEMBL29953083 | 0.82 | CYP2A6 (0.44) | CYP2A6ERN1IMPDH2CYP1A2CYP2C19 | |
| SCHEMBL29955776 | 0.82 | ERN1 (0.46) | GPR17CYP2A6ERN1IMPDH2CYP1A2 | |
| SCHEMBL29957909 | 0.82 | CYP2A6 (0.40) | GPR17CYP2A6ERN1IMPDH2TDP1 | |
| SCHEMBL17417808 | 0.82 | CYP2A6 (0.44) | CYP2A6ERN1IMPDH2CYP1A2CYP2C19 | |
| SCHEMBL29953280 | 0.78 | ERN1 (0.51) | CYP2A6ERN1IMPDH2TDP1CYP1A2 | |
| SCHEMBL29954522 | 0.78 | ALDH1A1 (0.55) | CYP2A6ERN1IMPDH2CYP1A2CYP2C19 | |
| SCHEMBL17417767 | 0.78 | ALDH1A1 (0.55) | CYP2A6ERN1IMPDH2CYP1A2CYP2C19 | |
| SCHEMBL1337252 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2TDP1ALDH1A1MEN1 | |
| SCHEMBL29951940 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2TDP1ALDH1A1MEN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144421-B1 | PHOSPHINIC PSEUDOPEPTIDES INHIBITORS OF MATRIX METALLOPROTEASES | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2003-10-08 | — | — | EP | claimed |
| US-6630501-B1 | Treatment of cancer due to overexpression of enzymes of this family | COMMISSARIAT A L'ENERGIE ATOMIQUE | 2003-10-07 | — | — | US | claimed |
| JP-2003517450-A | — | — | 2003-05-27 | — | — | JP | claimed |
| EP-1144421-A1 | PHOSPHINIC PSEUDOPEPTIDES INHIBITORS OF MATRIX METALLOPROTEASES | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2001-10-17 | — | — | EP | claimed |
| WO-2000043404-A1 | PHOSPHINIC PSEUDOPEPTIDES INHIBITORS OF MATRIX METALLOPROTEASES | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2000-07-27 | — | — | WO | claimed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-1144421-B1 | PHOSPHINIC PSEUDOPEPTIDES INHIBITORS OF MATRIX METALLOPROTEASES | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2003-10-08 | — | — | EP | disclosed |
| US-6630501-B1 | Treatment of cancer due to overexpression of enzymes of this family | COMMISSARIAT A L'ENERGIE ATOMIQUE | 2003-10-07 | — | — | US | disclosed |
| EP-1144421-A1 | PHOSPHINIC PSEUDOPEPTIDES INHIBITORS OF MATRIX METALLOPROTEASES | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043404-A1 | PHOSPHINIC PSEUDOPEPTIDES INHIBITORS OF MATRIX METALLOPROTEASES | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2000-07-27 | — | — | WO | disclosed |