Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | DHFR | P00374 | 2/20 | 0.52 |
| ▸ | GUSB | P08236 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16497756 | 0.94 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2C19 | |
| SCHEMBL7694783 | 0.88 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2C19 | |
| SCHEMBL16497690 | 0.88 | TSHR (0.64) | ALDH1A1KDM4EGAAMAPTNPC1 | |
| SCHEMBL16497693 | 0.86 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2C19 | |
| SCHEMBL16511360 | 0.85 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2C19 | |
| SCHEMBL16511484 | 0.84 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2C19 | |
| SCHEMBL16497713 | 0.83 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2C19 | |
| SCHEMBL16497858 | 0.82 | HTT (0.66) | ALDH1A1KDM4EGAAMAPTGUSB | |
| SCHEMBL7689750 | 0.81 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2C19 | |
| SCHEMBL10112932 | 0.81 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2KDM4ECYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011151701-A1 | 6 - METHYL - 4 - PHENYL - 5 - ( PHENYL OR CYCLOALKYL) CARBAMOYL - 1,2,3, 4 - TETRAHYDROPYRIMIDIN- 2 - ONE DERIVATIVES AS ANTITUBERCULAR AGENTS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2011-12-08 | — | — | WO | claimed |
| WO-2011151701-A1 | 6 - METHYL - 4 - PHENYL - 5 - ( PHENYL OR CYCLOALKYL) CARBAMOYL - 1,2,3, 4 - TETRAHYDROPYRIMIDIN- 2 - ONE DERIVATIVES AS ANTITUBERCULAR AGENTS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2011-12-08 | — | — | WO | disclosed |
| WO-2011151701-A1 | 6 - METHYL - 4 - PHENYL - 5 - ( PHENYL OR CYCLOALKYL) CARBAMOYL - 1,2,3, 4 - TETRAHYDROPYRIMIDIN- 2 - ONE DERIVATIVES AS ANTITUBERCULAR AGENTS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2011-12-08 | — | — | WO | disclosed |