Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 8/20 | 0.40 |
| ▸ | C1R | P00736 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.32 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.32 |
| ▸ | ULK1 | O75385 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691348 | 0.83 | DHFR (0.41) | PTPN1C1RDHFRTRPA1BACE1 | |
| SCHEMBL27653772 | 0.83 | TTBK1 (0.39) | DHFRTTBK1TTBK2 | |
| SCHEMBL27653789 | 0.81 | CYP1A2 (0.43) | PTPN1C1RCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27633378 | 0.77 | PTPN1 (0.36) | PTPN1C1RCYP1A2CYP2D6DHFR | |
| SCHEMBL28759599 | 0.77 | DHFR (0.34) | DHFR | |
| SCHEMBL27653795 | 0.75 | DHFR (0.32) | DHFR | |
| SCHEMBL4689031 | 0.69 | DHFR (0.58) | DHFR | |
| SCHEMBL27653903 | 0.69 | DHFR (0.38) | DHFRTTBK1TTBK2 | |
| SCHEMBL4691907 | 0.69 | DHFR (0.43) | PTPN1C1RDHFRTRPA1BACE1 | |
| SCHEMBL4707590 | 0.68 | PTPN1 (0.48) | PTPN1CYP1A2CYP2D6CYP2C19RECQL |
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-100334088-C | Diaminopyrroloquinazoline compounds as protein tyrosine phosphatase inhibitors | HOFFMANN LA ROCHE CO LTD (CH) | 2007-08-29 | — | — | CN | disclosed |
| CN-1791604-A | Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors | HOFFMANN LA ROCHE (CH) | 2006-06-21 | — | — | CN | disclosed |