Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.43 |
| ▸ | CYP26B1 | Q9NR63 | 2/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.42 |
| ▸ | RXRB | P28702 | 2/20 | 0.42 |
| ▸ | CCR9 | P51686 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.40 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.40 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18751676 | 0.87 | CYP1A2 (0.46) | CYP1A2CYP2C19NR1H4 | |
| SCHEMBL13012068 | 0.86 | MEN1 (0.56) | CYP1A2CYP2C19HDAC4HDAC2HDAC8 | |
| SCHEMBL14718808 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP2C19ACHENR1H4HDAC4 | |
| SCHEMBL13547858 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP2C19ACHENR1H4HDAC4 | |
| SCHEMBL892932 | 0.84 | CYP1A2 (0.71) | CYP1A2CYP2C19ACHENR1H4HDAC4 | |
| SCHEMBL23979330 | 0.83 | ACHE (0.45) | CYP1A2CYP2C19ACHENR1H4HDAC4 | |
| SCHEMBL12993349 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2C19ACHENR1H4HDAC4 | |
| SCHEMBL10389717 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP2C19ACHENR1H4HDAC4 | |
| SCHEMBL18116097 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2C19NR1H4RXRARXRB | |
| SCHEMBL13012102 | 0.80 | CTBP2 (0.51) | CYP1A2CYP2C19KMT2AMAPTNLRP3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210338670-A1 | NON-INVASIVE PET IMAGING OF CDK4/6 ACTIVATION IN CANCER | NEW YORK UNIVERSITY | 2021-11-04 | — | — | US | disclosed |
| US-20140243334-A1 | SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-20140243335-A1 | SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-8513421-B2 | Substituted hydroxamic acids and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20120015942-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| US-20120015943-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | MILLENNIUM PHARMACUTICALS, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| US-20110288117-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-11-24 | — | — | 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 (6 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-20210338670-A1 | NON-INVASIVE PET IMAGING OF CDK4/6 ACTIVATION IN CANCER | CDK4, CDK6, CDKL4 | CYP1A2 4104/4885CYP2C19 2646/4885ACHE 4099/4885 |
| US-20120015942-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | HDAC6, HDAC1, HDAC2 | CYP1A2 1488/4885CYP2C19 2182/4885ACHE 3602/4885 |
| US-20140243334-A1 | SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF | HDAC6, H1-3, H1-5 | CYP1A2 602/4885CYP2C19 1122/4885ACHE 1149/4885 |
| US-20110288117-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | HDAC6, HDAC1, HDAC5 | CYP1A2 1503/4885CYP2C19 2766/4885ACHE 3502/4885 |
| US-20120015943-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | HDAC6, HDAC1, HDAC2 | CYP1A2 1438/4885CYP2C19 2099/4885ACHE 3488/4885 |
| US-20140243335-A1 | SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF | HDAC6, HDAC1, H1-3 | CYP1A2 519/4885CYP2C19 983/4885ACHE 1462/4885 |
“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.