Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | DHFR | P00374 | 6/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.47 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11623741 | 0.85 | CYP3A4 (0.55) | DHFRCYP2D6KDM4EALDH1A1KMT2A | |
| SCHEMBL11624590 | 0.82 | KDM4E (0.56) | TSHRCYP2D6KCNH2KDM4EKMT2A | |
| SCHEMBL2903758 | 0.81 | TSHR (0.56) | TSHRDHFRCYP2D6PLA2G4BGGPS1 | |
| SCHEMBL11050996 | 0.81 | KDM4E (0.60) | TSHRDHFRCYP2D6PLA2G4BGGPS1 | |
| SCHEMBL720798 | 0.81 | CYP2D6 (0.58) | TSHRDHFRCYP2D6KCNH2PLA2G4B | |
| SCHEMBL11622628 | 0.81 | TSHR (0.53) | TSHRCYP2D6KDM4E | |
| SCHEMBL14418362 | 0.80 | CYP2D6 (0.52) | CYP2D6KCNH2PLA2G4BGGPS1KDM4E | |
| SCHEMBL14382693 | 0.80 | CYP2D6 (0.57) | TSHRDHFRCYP2D6KCNH2PLA2G4B | |
| SCHEMBL25820080 | 0.79 | CYP2D6 (0.56) | TSHRDHFRCYP2D6KCNH2GGPS1 | |
| SCHEMBL2911039 | 0.79 | TAAR1 (0.62) | TSHRDHFRCYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4076943-A | DIURETICS, SALURETICS, ANTIHYPERTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1978-02-28 | — | — | US | disclosed |
| US-4061653-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-12-06 | — | — | US | disclosed |
| US-3950528-A | HYPOTENSIVE AGENTS, SALURETICS, DIURETICS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | disclosed |