Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 2/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3285536 | 0.83 | ADORA2A (0.46) | ALDH1A1VNN1HSP90AA1GAAKDM4E | |
| SCHEMBL13326022 | 0.82 | ADORA2A (0.47) | ALDH1A1VNN1HSP90AA1GAA | |
| SCHEMBL12203612 | 0.71 | ACACB (0.58) | ALDH1A1PPARGPPARALMNAACACB | |
| SCHEMBL8732751 | 0.71 | ACACB (0.58) | ALDH1A1PPARGPPARALMNAACACB | |
| SCHEMBL7652554 | 0.71 | NPC1 (0.58) | ALDH1A1LMNAGAAHPGDMAPT | |
| SCHEMBL10276786 | 0.71 | CA2 (0.55) | ALDH1A1LMNA | |
| SCHEMBL10276787 | 0.71 | CA2 (0.55) | ALDH1A1LMNA | |
| SCHEMBL3120956 | 0.70 | CTNNB1 (0.51) | CCNE2CCNE1CDK2KDM4E | |
| SCHEMBL1673449 | 0.70 | ABCB1 (0.47) | ALDH1A1PPARGPPARALMNAGAA | |
| SCHEMBL2843448 | 0.70 | L3MBTL1 (0.46) | LMNAVNN1GAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7718655-B2 | Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity | NEW YORK UNIVERSITY (US) | 2010-05-18 | — | — | US | disclosed |
| US-20040122009-A1 | Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity | NEW YORK UNIVERSITY (US) | 2004-06-24 | — | — | 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 (1 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-20040122009-A1 | Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity | TUBA1C, TUBB1, TUBB | ALDH1A1 3453/4885PPARG 3670/4885PPARA 4352/4885 |
“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.