Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.35 |
| ▸ | CDK9 | P50750 | 3/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL26983272 | 0.92 | MLYCD (0.36) | QDPRHRH3CCNT1CDK9SIGMAR1 | |
| SCHEMBL31701401 | 0.81 | HRH3 (0.36) | QDPRHRH3CCNT1CDK9SIGMAR1 | |
| SCHEMBL29531318 | 0.78 | GABRP (0.49) | QDPRHRH3CCNT1CDK9SIGMAR1 | |
| SCHEMBL29766145 | 0.75 | RXFP1 (0.48) | HTR2CLMNA | |
| SCHEMBL15024196 | 0.75 | HTR6 (0.45) | QDPRHRH3CCNT1CDK9SIGMAR1 | |
| SCHEMBL28364566 | 0.73 | ALDH1A1 (0.36) | QDPRHRH3CCNT1CDK9TSHR | |
| SCHEMBL15001446 | 0.73 | HRH3 (0.46) | QDPRHRH3SIGMAR1HTR2CTGFBR1 | |
| SCHEMBL31701883 | 0.72 | WNT3A (0.42) | QDPRHRH3CCNT1CDK9SIGMAR1 | |
| SCHEMBL20760623 | 0.70 | NPC1 (0.44) | QDPRCCNT1CDK9SIGMAR1HTR2C | |
| SCHEMBL31702391 | 0.70 | CDK4 (0.37) | QDPRHRH3CCNT1CDK9SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110891953-B | Pyrrolotriazines derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| WO-2022081627-A1 | COMPOSITIONS AND METHODS FOR TREATING KIT-AND PDGFRA-MEDIATED DISEASES | BLUEPRINT MEDICINES CORPORATION (US) | 2022-04-21 | — | — | WO | disclosed |
| CN-110891953-A | Pyrrolotriazines derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2020-03-17 | — | — | CN | disclosed |
| WO-2019034128-A1 | PYRROLOTRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF | 浙江海正药业股份有限公司 | 2019-02-21 | — | — | WO | disclosed |