Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | RAF1 | P04049 | 1/20 | 0.51 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.50 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.50 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.49 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | STAT1 | P42224 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31476379 | 0.90 | RXFP1 (0.57) | RXFP1HDAC3HDAC8HDAC6HDAC1 | |
| SCHEMBL29029431 | 0.88 | HDAC3 (0.56) | RXFP1HDAC3HDAC8HDAC6HDAC1 | |
| SCHEMBL30042580 | 0.88 | RXFP1 (0.73) | RXFP1SMN1; SMN2LMNAMAPTHTT | |
| SCHEMBL1013325 | 0.88 | RXFP1 (0.73) | RXFP1SMN1; SMN2LMNAMAPTHTT | |
| SCHEMBL2097862 | 0.87 | HDAC3 (0.59) | RXFP1HDAC3HDAC8HDAC6RAF1 | |
| SCHEMBL24046541 | 0.85 | RXFP1 (0.56) | RXFP1HDAC3HDAC8HDAC6HDAC1 | |
| SCHEMBL2097860 | 0.84 | HDAC8 (0.56) | RXFP1HDAC3HDAC8HDAC6RAF1 | |
| SCHEMBL22658426 | 0.84 | RXFP1 (0.58) | RXFP1HDAC3HDAC8HDAC6HDAC1 | |
| SCHEMBL30255999 | 0.83 | RXFP1 (0.57) | RXFP1HDAC3HDAC8HDAC6HDAC1 | |
| SCHEMBL30219734 | 0.83 | RXFP1 (0.51) | RXFP1HDAC3HDAC8HDAC6HDAC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10301306-B2 | Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-05-28 | — | — | US | disclosed |
| US-20170362219-A1 | SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-12-21 | — | — | US | disclosed |
| US-20170298042-A1 | VMAT INHIBITORY COMPOUNDS | OREGON HEALTH & SCIENCE UNIVERSITY (US) | 2017-10-19 | — | — | US | disclosed |
| US-9546151-B2 | VMAT inhibitory compounds | OREGON HEALTH & SCIENCE UNIVERSITY (US) | 2017-01-17 | — | — | US | disclosed |
| US-20160031852-A1 | VMAT INHIBITORY COMPOUNDS | WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) | 2016-02-04 | — | — | US | disclosed |
| US-9067928-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2015-06-30 | — | — | US | disclosed |
| US-8518970-B2 | Compounds and methods of use | ABBVIE INC. (US) | 2013-08-27 | — | — | US | disclosed |
| US-20120184541-A1 | COMPOUNDS AND METHODS OF USE | ABBVIE INC. | 2012-07-19 | — | — | US | disclosed |
| US-8114893-B2 | Compounds and methods of use | GENENTECH, INC. (US) | 2012-02-14 | — | — | US | disclosed |
| EP-2197552-A2 | NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS | 4SC AG (DE) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009037001-A2 | NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS | 4SC AG (DE) | 2009-03-26 | — | — | 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 (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-20170298042-A1 | VMAT INHIBITORY COMPOUNDS | SLC18A2, SLC18A3, SLC6A2 | RXFP1 2607/4885HDAC3 538/4885HDAC8 979/4885 |
| US-20170362219-A1 | SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS | RIPK3, RIPK1, RIPK4 | RXFP1 947/4885HDAC3 570/4885HDAC8 1355/4885 |
| US-10301306-B2 | Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors | RIPK3, RIPK1, RIPK4 | RXFP1 947/4885HDAC3 570/4885HDAC8 1355/4885 |
| US-20160031852-A1 | VMAT INHIBITORY COMPOUNDS | SLC18A2, SLC18A3, SLC6A2 | RXFP1 2607/4885HDAC3 538/4885HDAC8 979/4885 |
| US-20120184541-A1 | COMPOUNDS AND METHODS OF USE | BCL2A1, BCL2, BAX | RXFP1 2131/4885HDAC3 3283/4885HDAC8 4694/4885 |
“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.