Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CTSV | O60911 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.46 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL578933 | 0.90 | ALDH1A1 (0.66) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL28281676 | 0.89 | ALDH1A1 (0.64) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL10082315 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL6850686 | 0.78 | HNF4A (0.64) | ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2 | |
| Thiophene SCHEMBL27870135 | 0.77 | KDM4E (0.52) | ALDH1A1TDP1CYP3A4SMN1; SMN2MAPT | |
| SCHEMBL129889 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL30322798 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TDP1CYP3A4ALOX15GPR35 | |
| SCHEMBL27497022 | 0.76 | GAA (0.60) | ALDH1A1GPR35SMN1; SMN2MAPTTP53 | |
| Benzoic Acid SCHEMBL28487710 | 0.76 | SRD5A2 (0.57) | ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2 | |
| SCHEMBL260006 | 0.76 | ALDH1A1 (0.70) | ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101088997-A | Improved process of preparing Raltitrexed | XIUHUA WEI (CN) | 2007-12-19 | — | — | CN | claimed |
| CN-101088997-A | Improved process of preparing Raltitrexed | XIUHUA WEI (CN) | 2007-12-19 | — | — | CN | disclosed |