Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | ERCC1 | P07992 | 4/20 | 0.48 |
| ▸ | ERCC4 | Q92889 | 4/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.45 |
| ▸ | YAP1 | P46937 | 1/20 | 0.45 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.45 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1143282 | 0.86 | ALDH1A1 (0.64) | P2RX7ALDH1A1ERCC1ERCC4NPC1 | |
| SCHEMBL3185618 | 0.85 | ERCC1 (0.54) | KMT2AALDH1A1MEN1ERCC1ERCC4 | |
| SCHEMBL4074085 | 0.85 | HTT (0.55) | P2RX7KMT2AALDH1A1MEN1ERCC1 | |
| SCHEMBL7934893 | 0.85 | P2RX7 (0.53) | P2RX7KMT2AALDH1A1MEN1ERCC1 | |
| SCHEMBL3557506 | 0.82 | P2RX7 (0.53) | P2RX7KMT2AALDH1A1MEN1ERCC1 | |
| SCHEMBL5797584 | 0.81 | P2RX7 (0.49) | P2RX7KMT2AALDH1A1MEN1ERCC1 | |
| SCHEMBL626586 | 0.81 | CYP2C9 (0.58) | P2RX7KMT2AALDH1A1MEN1ERCC1 | |
| SCHEMBL23565221 | 0.80 | P2RX7 (0.59) | P2RX7ALDH1A1ERCC1ERCC4JAK2 | |
| SCHEMBL23565573 | 0.80 | ERCC1 (0.58) | P2RX7ALDH1A1ERCC1ERCC4JAK2 | |
| SCHEMBL4074083 | 0.80 | SMN1; SMN2 (0.52) | P2RX7KMT2AALDH1A1HTTSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5834514-A | INHIBITORS OF INTERLEUKIN-1B CONVERTING ENZYME, TREATMENT OF INFLAMMATORY AND IMMUNE BASED DISEASES OF THE LUNGS, CENTRAL NERVOUS SYSTEM AND CONNECTIVE TISSUES | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-11-10 | — | — | US | claimed |
| EP-0758891-A4 | HALOMETHYL AMIDES AS IL-1-g(b) PROTEASE INHIBITORS | SANOFI WINTHROP INC (US) | 1997-12-03 | — | — | EP | claimed |
| EP-0758891-A1 | HALOMETHYL AMIDES AS IL-1$g(b) PROTEASE INHIBITORS | SANOFI WINTHROP, INC. (US) | 1997-02-26 | — | — | EP | claimed |
| WO-1995029672-A1 | HALOMETHYL AMIDES AS IL-1β PROTEASE INHIBITORS | SANOFI WINTHROP, INC. (US) | 1995-11-09 | — | — | WO | claimed |
| WO-2009125191-A1 | BENZENE DERIVATIVES | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2009-10-15 | — | — | WO | disclosed |
| US-5834514-A | INHIBITORS OF INTERLEUKIN-1B CONVERTING ENZYME, TREATMENT OF INFLAMMATORY AND IMMUNE BASED DISEASES OF THE LUNGS, CENTRAL NERVOUS SYSTEM AND CONNECTIVE TISSUES | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-11-10 | — | — | US | disclosed |