Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL31212182 | 1.00 | CA1 (0.43) | CA1CA2CA4CA7CA9 | |
| SCHEMBL8141594 | 0.81 | CES1 (0.55) | TGM2CES1S100A4CMA1AHR | |
| SCHEMBL17941991 | 0.80 | CA1 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL31212236 | 0.80 | CA1 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL8127618 | 0.75 | MAPT (0.57) | S100A4ALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL19931150 | 0.74 | TGM2 (0.59) | CA1CA2CA4CA7CA9 | |
| SCHEMBL25986169 | 0.71 | CA1 (0.41) | CA1CA2CA4CA7CA9 | |
| SCHEMBL13058804 | 0.71 | TGM2 (0.55) | CA1CA2CA4CA7CA9 | |
| SCHEMBL8557 | 0.71 | CES1 (0.71) | TGM2CES1S100A4CMA1AHR | |
| SCHEMBL11920847 | 0.71 | CES1 (0.50) | CA1CA2CA4CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3247705-B1 | QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS | MILLENNIUM PHARM INC (US) | 2019-11-20 | — | — | EP | disclosed |
| EP-3247705-A1 | QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2017-11-29 | — | — | EP | disclosed |
| WO-2016118565-A1 | QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-07-28 | — | — | WO | disclosed |
| WO-2016118565-A1 | QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-07-28 | — | — | WO | disclosed |