Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL25164691 | 0.84 | SIRT3 (0.38) | SIRT3TDP1GAACYP2A6CYP1A2 | |
| SCHEMBL20693003 | 0.82 | TRPA1 (0.36) | SIRT3TDP1GAACYP2A6CYP1A2 | |
| SCHEMBL179390 | 0.79 | SIRT3 (0.41) | SIRT3TDP1GAACYP2A6CYP1A2 | |
| SCHEMBL31188403 | 0.79 | SIRT3 (0.41) | SIRT3TDP1GAACYP2A6CYP1A2 | |
| SCHEMBL13838558 | 0.77 | GAA (0.46) | SIRT3TDP1GAACYP2A6CYP1A2 | |
| SCHEMBL28004351 | 0.77 | SIRT3 (0.39) | SIRT3TDP1GAACYP2A6CYP1A2 | |
| SCHEMBL26030475 | 0.76 | RPS6KA3 (0.45) | RPS6KA3 | |
| SCHEMBL25996380 | 0.76 | RPS6KA3 (0.45) | RPS6KA3 | |
| SCHEMBL22570349 | 0.76 | SIRT3 (0.38) | SIRT3TDP1GAACYP2A6CYP1A2 | |
| SCHEMBL21659210 | 0.76 | SIRT3 (0.38) | SIRT3TDP1GAACYP2A6CYP1A2 |
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-9221841-B2 | Mitotic kinesin inhibitors and methods of use thereof | ARRAY BIOPHARMA INC. (US) | 2015-12-29 | — | — | US | disclosed |
| US-20150191490-A1 | MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2015-07-09 | — | — | US | disclosed |
| US-20140018399-A1 | MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2014-01-16 | — | — | US | disclosed |
| US-8580828-B2 | Mitotic kinesin inhibitors and methods of use thereof | ARRAY BIOPHARMA INC. (US) | 2013-11-12 | — | — | US | disclosed |
| US-20130109656-A1 | MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA, INC. | 2013-05-02 | — | — | 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 (3 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-20130109656-A1 | MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF | KIF5B, KIF2C, KIFC1 | SIRT3 1066/4885TDP1 179/4885GAA 426/4885 |
| US-20150191490-A1 | MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF | KIF5B, KIF2C, KIFC1 | SIRT3 1094/4885TDP1 239/4885GAA 405/4885 |
| US-20140018399-A1 | MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF | KIF5B, KIF2C, KIFC1 | SIRT3 1094/4885TDP1 239/4885GAA 405/4885 |
“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.