Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15159201 | 0.85 | NOS3 (0.43) | NOS3NOS1NOS2CYP3A4CYP2D6 | |
| SCHEMBL18792891 | 0.83 | HMGCR (0.35) | NOS3NOS1NOS2HTT | |
| SCHEMBL12299835 | 0.79 | NOS3 (0.39) | NOS3NOS1NOS2CYP3A4CYP2D6 | |
| SCHEMBL14129058 | 0.77 | — | — | |
| SCHEMBL8201704 | 0.77 | ADORA2A (0.43) | NOS3NOS1NOS2KDM4EADORA2A | |
| SCHEMBL4547885 | 0.76 | NOS2 (0.61) | NOS3NOS1NOS2CYP3A4CYP2D6 | |
| SCHEMBL15479540 | 0.76 | NOS3 (0.36) | NOS3NOS1NOS2CYP3A4CYP2D6 | |
| SCHEMBL25951750 | 0.76 | NOS3 (0.36) | NOS3NOS1NOS2CYP3A4CYP2D6 | |
| SCHEMBL19007329 | 0.74 | NOS3 (0.43) | NOS3NOS1NOS2CYP3A4CYP2D6 | |
| SCHEMBL15980604 | 0.73 | NOS3 (0.42) | NOS3NOS1NOS2CYP3A4CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11225469-B2 | Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2022-01-18 | — | — | US | disclosed |
| US-10966985-B2 | Macrocyclic compounds as ROS1 kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2021-04-06 | — | — | US | disclosed |
| US-20190151322-A1 | MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS | ARRAY BIOPHARMA INC. | 2019-05-23 | — | — | US | disclosed |
| US-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2018-04-19 | — | — | US | disclosed |
| US-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2018-04-19 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11225469-B2 | Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof | PHGDH, PGD, PGK1 | NOS3 2640/4885NOS1 2616/4885NOS2 2906/4885 |
| US-10966985-B2 | Macrocyclic compounds as ROS1 kinase inhibitors | ROS1, MAP3K1, MAP3K19 | NOS3 1830/4885NOS1 1305/4885NOS2 2304/4885 |
| US-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | PHGDH, PGD, PGK1 | NOS3 2532/4885NOS1 2516/4885NOS2 2680/4885 |
| US-20190151322-A1 | MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS | ROS1, MAP3K1, MAP3K19 | NOS3 1830/4885NOS1 1305/4885NOS2 2304/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.