Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11546967 | 0.88 | CA1 (0.42) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL11551313 | 0.87 | TSHR (0.45) | ALDH1A1MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL11547587 | 0.86 | PKM (0.47) | ALDH1A1MEN1KMT2AKDM4EHSD17B10 | |
| SCHEMBL11550588 | 0.85 | CACNA1C (0.46) | ALDH1A1KMT2AKDM4EACHENPSR1 | |
| SCHEMBL11547946 | 0.85 | NPSR1 (0.45) | DHFRALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL11555682 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL11547775 | 0.85 | CACNA1C (0.46) | ALDH1A1KMT2AKDM4EACHENPSR1 | |
| SCHEMBL11546183 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL11546996 | 0.81 | CACNA1C (0.44) | ALDH1A1MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL11549829 | 0.80 | KMT2A (0.40) | ALDH1A1MEN1KMT2AKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4136187-A | CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-01-23 | — | — | US | claimed |
| US-3959292-A | HYPOTENSIVE AGENTS, CORONARY DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | claimed |
| US-4136187-A | CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-01-23 | — | — | US | disclosed |
| US-3959292-A | HYPOTENSIVE AGENTS, CORONARY DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | disclosed |