Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.43 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13326022 | 0.99 | ADORA2A (0.47) | ADORA2AADORA1CA12CA1CA2 | |
| SCHEMBL3285533 | 0.83 | ALDH1A1 (0.43) | VNN1ALDH1A1HSP90AA1GAATP53 | |
| SCHEMBL3120956 | 0.78 | CTNNB1 (0.51) | NPC1RAB9AKMT2AMEN1BRD4 | |
| SCHEMBL2843448 | 0.78 | L3MBTL1 (0.46) | CA12CA1CA2CA9VNN1 | |
| SCHEMBL7652554 | 0.78 | NPC1 (0.58) | ALDH1A1GAANPC1RAB9AKMT2A | |
| SCHEMBL21066545 | 0.77 | KMT2A (0.52) | CA1CA2ALDH1A1NPC1RAB9A | |
| SCHEMBL2955788 | 0.77 | ADORA2A (0.43) | ADORA2AADORA1BRD4 | |
| SCHEMBL18086456 | 0.76 | NPC1 (0.56) | CA12CA1CA2CA9SUCNR1 | |
| SCHEMBL13326031 | 0.76 | BCDIN3D (0.50) | ALDH1A1GAANPC1RAB9AKMT2A | |
| SCHEMBL21070067 | 0.76 | ACHE (0.56) | CA12CA1CA2CA9SUCNR1 |
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 | ADORA2A 4848/4885ADORA1 4865/4885CA12 1418/4885 |
“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.