Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 3/20 | 0.62 |
| ▸ | NOS1 | P29475 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | QPCT | Q16769 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948566 | 0.96 | TBXAS1 (0.68) | TBXAS1NOS1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6948630 | 0.92 | NOS1 (0.56) | TBXAS1NOS1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10926670 | 0.87 | TBXAS1 (0.62) | TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6947605 | 0.85 | TBXAS1 (0.67) | TBXAS1NPC1POLBQPCT | |
| SCHEMBL11231205 | 0.83 | CYP19A1 (0.67) | NOS1 | |
| SCHEMBL11262682 | 0.82 | TBXAS1 (0.67) | TBXAS1QPCT | |
| SCHEMBL6943143 | 0.82 | TBXAS1 (0.67) | TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6948570 | 0.82 | NOS1 (0.56) | TBXAS1NOS1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6949512 | 0.82 | TBXAS1 (0.89) | TBXAS1 | |
| Bromide SCHEMBL11256755 | 0.81 | TBXAS1 (0.65) | TBXAS1NOS1TP53MDM2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0709378-B1 | Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds | AVENTIS PHARMA INC (US) | 2003-03-19 | — | — | EP | disclosed |
| US-5770740-A | TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS | HOECHST MARION ROUSSEL, INC. (US) | 1998-06-23 | — | — | US | disclosed |
| US-5696142-A | TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS | HOECHST MARION ROUSSEL, INC. (US) | 1997-12-09 | — | — | US | disclosed |
| US-5686447-A | ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS | HOECHST MARION ROUSSEL, INC. (US) | 1997-11-11 | — | — | US | disclosed |
| US-5686483-A | TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS | HOECHST MARION ROUSSEL, INC. (US) | 1997-11-11 | — | — | US | disclosed |
| US-5686446-A | ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS | HOECHST MARION ROUSSEL, INC. (US) | 1997-11-11 | — | — | US | disclosed |
| US-5684021-A | Aminoalkyloximes for treating depression and affective disorders | HOECHST MARION ROUSSEL, INC. (US) | 1997-11-04 | — | — | US | disclosed |
| US-5665756-A | Aminoalkyloximes useful in the treatment of depression and obsessive compulsive disorders | HOECHST MARION ROUSSEL, INC. (US) | 1997-09-09 | — | — | US | disclosed |
| US-5648367-A | ANTIDEPRESANTS, OBSESSIVE-COMPULSIVE DISORDER | HOECHST MARION ROUSSEL, INC. (US) | 1997-07-15 | — | — | US | disclosed |
| EP-0709378-A2 | Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1996-05-01 | — | — | EP | disclosed |