Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.54 |
| ▸ | MAP3K11 | Q16584 | 3/20 | 0.53 |
| ▸ | MTOR | P42345 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 3/20 | 0.44 |
| ▸ | JAK1 | P23458 | 3/20 | 0.44 |
| ▸ | JAK3 | P52333 | 3/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL12873761 | 0.98 | MTOR (0.54) | ADORA3ADORA2BMAP3K11MTORALDH1A1 | |
| SCHEMBL15204538 | 0.93 | MAP3K11 (0.46) | ADORA3ADORA2BMAP3K11MTOROPRM1 | |
| SCHEMBL975514 | 0.89 | JAK2 (0.47) | ADORA3ADORA2BMAP3K11MTORALDH1A1 | |
| SCHEMBL15935923 | 0.86 | MAP3K11 (0.41) | ADORA3ADORA2BMAP3K11MTORTSHR | |
| SCHEMBL29828800 | 0.86 | MAP3K11 (0.44) | ADORA3ADORA2BMAP3K11MTORJAK2 | |
| SCHEMBL13351354 | 0.86 | MAP3K11 (0.41) | ADORA3ADORA2BMAP3K11MTOROPRM1 | |
| SCHEMBL14046421 | 0.82 | ALOX15 (0.44) | ADORA3ADORA2BMAP3K11MTOROPRM1 | |
| SCHEMBL14028503 | 0.82 | MAP3K11 (0.39) | ADORA3ADORA2BMAP3K11MTOROPRM1 | |
| SCHEMBL1197421 | 0.77 | OPRM1 (0.61) | OPRM1OPRK1OPRL1CHRM1 | |
| SCHEMBL977455 | 0.76 | MTOR (0.61) | ADORA3ADORA2BMAP3K11MTORALDH1A1 |
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-9814704-B2 | Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors | THE UNIVERSITY OF ROCHESTER (US) | 2017-11-14 | — | — | US | disclosed |
| US-20160317509-A1 | MLK INHIBITORS AND METHODS OF USE | THE UNIVERSITY OF ROCHESTER | 2016-11-03 | — | — | US | disclosed |
| US-20160024087-A1 | MLK INHIBITORS AND METHODS OF USE | THE UNIVERSITY OF ROCHESTER | 2016-01-28 | — | — | US | disclosed |
| US-9181247-B2 | Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors | THE UNIVERSITY OF ROCHESTER (US) | 2015-11-10 | — | — | US | disclosed |
| US-20150105401-A1 | MLK INHIBITORS AND METHODS OF USE | THE UNIVERSITY OF ROCHESTER (US) | 2015-04-16 | — | — | US | disclosed |
| US-8877772-B2 | Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors | UNIVERSITY OF ROCHESTER (US) | 2014-11-04 | — | — | US | disclosed |
| US-8846909-B2 | Bicyclic heteroaryl kinase inhibitors and methods of use | UNIVERSITY OF ROCHESTER (US) | 2014-09-30 | — | — | US | disclosed |
| US-20130203755-A1 | BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2013-08-08 | — | — | US | disclosed |
| US-20120053175-A1 | MLK INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2012-03-01 | — | — | 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 (5 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-20120053175-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | ADORA3 4348/4885ADORA2B 4092/4885MAP3K11 23/4885 |
| US-20150105401-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | ADORA3 4348/4885ADORA2B 4092/4885MAP3K11 23/4885 |
| US-20130203755-A1 | BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE | MAP2K2, MAP2K7, CHKB | ADORA3 3216/4885ADORA2B 2944/4885MAP3K11 45/4885 |
| US-20160024087-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | ADORA3 4348/4885ADORA2B 4092/4885MAP3K11 23/4885 |
| US-20160317509-A1 | MLK INHIBITORS AND METHODS OF USE | MAP3K20, MAP3K2, MAP3K7 | ADORA3 4348/4885ADORA2B 4092/4885MAP3K11 23/4885 |
“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.