Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.36 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.36 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.36 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.36 |
| ▸ | BUB1 | O43683 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14746056 | 0.97 | PDE5A (0.49) | PDE5AALDH1A1FABP3FABP4KMT2A | |
| SCHEMBL12298772 | 0.76 | PDE5A (0.56) | PDE5AALDH1A1FABP3FABP4POLB | |
| SCHEMBL19312302 | 0.75 | PDE5A (0.47) | PDE5AALDH1A1FABP3FABP4KMT2A | |
| SCHEMBL12298833 | 0.75 | PDE5A (0.56) | PDE5AALDH1A1FABP3FABP4POLB | |
| SCHEMBL16713252 | 0.75 | PDE5A (0.43) | PDE5AALDH1A1FABP3FABP4KMT2A | |
| SCHEMBL12300580 | 0.75 | PDE5A (0.49) | PDE5AALDH1A1FABP3FABP4KMT2A | |
| SCHEMBL2485224 | 0.74 | PDE5A (0.50) | PDE5AALDH1A1FABP3FABP4KMT2A | |
| SCHEMBL12299051 | 0.73 | PDE5A (0.59) | PDE5AALDH1A1FABP3FABP4KMT2A | |
| SCHEMBL4245514 | 0.73 | BUB1 (0.49) | ALDH1A1KMT2AMEN1BUB1MAPT | |
| SCHEMBL14746424 | 0.72 | PDE5A (0.46) | PDE5AALDH1A1FABP3FABP4KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170275267-A1 | SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-09-28 | — | — | US | disclosed |
| US-20170275267-A1 | SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-09-28 | — | — | US | disclosed |
| US-20170275267-A1 | SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-09-28 | — | — | US | disclosed |
| US-9416125-B2 | — | — | 2016-08-16 | — | — | US | disclosed |
| US-9416125-B2 | — | — | 2016-08-16 | — | — | US | disclosed |
| US-9416125-B2 | — | — | 2016-08-16 | — | — | US | disclosed |
| US-20150141372-A1 | SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-05-21 | — | — | US | disclosed |
| US-20150141372-A1 | SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-05-21 | — | — | US | disclosed |
| US-20150141372-A1 | SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-05-21 | — | — | 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 (2 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-20150141372-A1 | SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER | BUB1, BUB1B, BUB3 | PDE5A 3559/4885ALDH1A1 3183/4885FABP3 3643/4885 |
| US-20170275267-A1 | SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER | BUB1, BUB1B, BUB3 | PDE5A 3559/4885ALDH1A1 3183/4885FABP3 3643/4885 |
“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.