Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CCR8 | P51685 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ABL1 | P00519 | 1/20 | 0.56 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8550696 | 0.99 | MEN1 (0.58) | MEN1TSHRKMT2AALDH1A1CCR8 | |
| SCHEMBL24131658 | 0.92 | L3MBTL1 (0.60) | MEN1TSHRKMT2ANPC1RAB9A | |
| SCHEMBL24131137 | 0.92 | L3MBTL1 (0.60) | MEN1TSHRKMT2ANPC1RAB9A | |
| SCHEMBL608528 | 0.87 | ALDH1A1 (0.76) | TSHRKMT2AALDH1A1CCR8SMN1; SMN2 | |
| SCHEMBL8173819 | 0.87 | SMN1; SMN2 (0.56) | TSHRALDH1A1CCR8NPC1RAB9A | |
| SCHEMBL3361971 | 0.86 | EGFR (0.55) | ALDH1A1CCR8NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14845464 | 0.86 | HTR2A (0.64) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7438287 | 0.86 | ALDH1A1 (0.74) | KMT2AALDH1A1CCR8SMN1; SMN2KDM4E | |
| SCHEMBL2356908 | 0.85 | SMN1; SMN2 (0.52) | TSHRKMT2AALDH1A1CCR8NPC1 | |
| SCHEMBL26454342 | 0.85 | EGFR (0.59) | ALDH1A1CCR8NPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753679-A | SCIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-19 | — | — | US | claimed |
| EP-3044223-B1 | 2,3-DIHYDRO-1H-INDEN-1-ONE DERIVATIVES AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA) ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS | ARRIEN PHARMACEUTICALS LLC (US) | 2020-04-01 | — | — | EP | disclosed |
| EP-0871613-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-21 | — | — | EP | disclosed |
| US-5753679-A | SCIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1996035666-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 1996-11-14 | — | — | WO | disclosed |