Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 7/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | CFD | P00746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6921298 | 0.80 | ADORA2A (0.44) | ADORA1ADORA2ANOS1NOS2KDM4E | |
| SCHEMBL30042357 | 0.79 | KDM4E (0.45) | ADORA1ADORA2AKDM4EF2CFD | |
| SCHEMBL1148774 | 0.78 | NOS1 (0.53) | ADORA1ADORA2ANOS1NOS2KDM4E | |
| SCHEMBL13853278 | 0.75 | ELANE (0.41) | KDM4EF2CFD | |
| SCHEMBL2965562 | 0.69 | ADORA1 (0.70) | ADORA1ADORA2A | |
| SCHEMBL1522777 | 0.69 | PARP1 (0.53) | ADORA1ADORA2AF2CFD | |
| SCHEMBL11624147 | 0.68 | NOS1 (0.50) | ADORA1ADORA2ANOS1NOS2KDM4E | |
| SCHEMBL15046535 | 0.67 | NOS1 (1.00) | ADORA1ADORA2ANOS1NOS2KDM4E | |
| SCHEMBL8039008 | 0.67 | ADORA1 (1.00) | ADORA1ADORA2AKDM4EKMT2A | |
| SCHEMBL13622759 | 0.67 | KDM4E (0.57) | ADORA1ADORA2AKDM4EKMT2A |
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-7879885-B2 | such as N-(2-Amino-6-methylpyridin-3-ylmethyl)-N-{2-[2-[(2-amino-6-methyl-pyridin-3-ylmethyl)formylamino]-1-(2-hydroxyethyl)-propenyldisulfanyl]-4-hydroxy-1-methylbut-1-enyl}formamide, used for inhibiting cell proliferation and tumor cell growth, stimulating apoptosis in tumor cells and treating cancer | ARRAY BIOPHARMA, INC. (US) | 2011-02-01 | — | — | US | disclosed |
| US-7879885-B2 | such as N-(2-Amino-6-methylpyridin-3-ylmethyl)-N-{2-[2-[(2-amino-6-methyl-pyridin-3-ylmethyl)formylamino]-1-(2-hydroxyethyl)-propenyldisulfanyl]-4-hydroxy-1-methylbut-1-enyl}formamide, used for inhibiting cell proliferation and tumor cell growth, stimulating apoptosis in tumor cells and treating cancer | ARRAY BIOPHARMA, INC. (US) | 2011-02-01 | — | — | US | disclosed |
| US-7879885-B2 | such as N-(2-Amino-6-methylpyridin-3-ylmethyl)-N-{2-[2-[(2-amino-6-methyl-pyridin-3-ylmethyl)formylamino]-1-(2-hydroxyethyl)-propenyldisulfanyl]-4-hydroxy-1-methylbut-1-enyl}formamide, used for inhibiting cell proliferation and tumor cell growth, stimulating apoptosis in tumor cells and treating cancer | ARRAY BIOPHARMA, INC. (US) | 2011-02-01 | — | — | US | disclosed |
| US-20070293501-A1 | Thioalkeneamides as Transketolase Inhibitors | ARRAY BIOPHARMA INC. (US) | 2007-12-20 | — | — | US | disclosed |
| US-20070293501-A1 | Thioalkeneamides as Transketolase Inhibitors | ARRAY BIOPHARMA INC. (US) | 2007-12-20 | — | — | US | disclosed |
| US-20070293501-A1 | Thioalkeneamides as Transketolase Inhibitors | ARRAY BIOPHARMA INC. (US) | 2007-12-20 | — | — | US | disclosed |
| WO-2005095344-A1 | THIOALKENEAMIDES AS TRANSKETOLASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2005-10-13 | — | — | WO | disclosed |
| EP-0839145-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| WO-1997003071-A1 | HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AKTIENGESELLSCHAFT (DE) | 1997-01-30 | — | — | WO | 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-20070293501-A1 | Thioalkeneamides as Transketolase Inhibitors | TKT, AKR1A1, RRM2 | ADORA1 195/4885ADORA2A 571/4885NOS1 1349/4885 |
“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.