Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CCR8 | P51685 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11486442 | 0.90 | USP2 (0.45) | CYP2D6USP2ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL11242994 | 0.90 | USP2 (0.45) | CYP2D6USP2ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL11471965 | 0.88 | MEN1 (0.43) | CYP2D6USP2ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL11241289 | 0.83 | KMT2A (0.44) | CYP2D6USP2ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL11243000 | 0.80 | USP2 (0.43) | CYP2D6USP2ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL11468367 | 0.78 | SCN1A (0.48) | ALDH1A1TSHRMEN1KMT2ACYP3A4 | |
| Oxalic Acid SCHEMBL11468650 | 0.76 | SCN1A (0.46) | ALDH1A1TSHRKCNH2TSPO | |
| SCHEMBL11253946 | 0.75 | ALDH1A1 (0.46) | CYP2D6USP2ALDH1A1CYP2C19MAPK1 | |
| SCHEMBL11468585 | 0.75 | OPRK1 (0.51) | ALDH1A1TSHRCCR8KCNH2LMNA | |
| SCHEMBL11470298 | 0.74 | OTUD7B (0.47) | ALDH1A1TSHRMEN1KMT2AHSD17B10 |
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-4198417-A | ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | claimed |
| EP-0016261-B1 | SPIRO(DIBENZ(B,F)OXEPIN-PIPERIDINES) AND METHODS OF PREPARING SAME | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-12-29 | — | — | EP | disclosed |
| EP-0016261-A1 | Spiro(dibenz(b,f)oxepin-piperidines) and methods of preparing same | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-10-01 | — | — | EP | disclosed |
| US-4198417-A | ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |
| US-4198418-A | ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS | AMERICAN HOECHST CORPORATION (US) | 1980-04-15 | — | — | US | disclosed |