Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 10/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13202414 | 0.84 | CYP1A2 (0.56) | CYP1A2CYP2D6MAPTALDH1A1KDM4E | |
| SCHEMBL7348643 | 0.83 | CYP1A2 (0.55) | CYP1A2CYP2D6MAPTALDH1A1KDM4E | |
| SCHEMBL7121999 | 0.76 | KDM4E (0.47) | CYP1A2CYP2D6MAPTALDH1A1KDM4E | |
| SCHEMBL7358955 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2D6MAPTALDH1A1KDM4E | |
| SCHEMBL31649581 | 0.73 | CYP1A2 (0.60) | CYP1A2CYP2D6MAPTALDH1A1KDM4E | |
| SCHEMBL1610337 | 0.73 | BCL2 (0.50) | MAPTALDH1A1KDM4EMPINPY5R | |
| SCHEMBL7355029 | 0.71 | CYP1A2 (0.48) | CYP1A2CYP2D6MAPTALDH1A1KDM4E | |
| SCHEMBL1509479 | 0.71 | ALDH1A1 (0.56) | MAPTALDH1A1KDM4EMPINPY5R | |
| SCHEMBL5729080 | 0.71 | CYP1A2 (0.68) | CYP1A2CYP2D6MAPTALDH1A1KDM4E | |
| SCHEMBL31649865 | 0.71 | SMN1; SMN2 (0.58) | CYP1A2CYP2D6MAPTALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5880121-A | SEROTONIN 5HT3 ANTAGONIST, USEFUL FOR TREATING ANXIETY, PHYCHIATRIC DISORDERS, NAUSEA, VOMITING AND DRUG DEPENDENCY | HOECHST MARION ROUSSEL INC. (US) | 1999-03-09 | — | — | US | claimed |
| US-5880121-A | SEROTONIN 5HT3 ANTAGONIST, USEFUL FOR TREATING ANXIETY, PHYCHIATRIC DISORDERS, NAUSEA, VOMITING AND DRUG DEPENDENCY | HOECHST MARION ROUSSEL INC. (US) | 1999-03-09 | — | — | US | disclosed |
| EP-0874833-A1 | 4,5-DIHYDRONAPHTH 1,2-C]ISOXAZOLES AND DERIVATIVES THEREOF HAVING CNS ACTIVITY | HOECHST MARION ROUSSEL, INC. (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997025317-A1 | 4,5-DIHYDRONAPHTH[1,2-C]ISOXAZOLES AND DERIVATIVES THEREOF HAVING CNS ACTIVITY | HOECHST MARION ROUSSEL, INC. (US) | 1997-07-17 | — | — | WO | disclosed |