Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 2/20 | 0.44 |
| ▸ | MAT2A | P31153 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9778472 | 0.85 | ELANE (0.51) | SMOHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1545677 | 0.82 | HTR1A (0.43) | LMNAHTR6KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL1545847 | 0.81 | HTR1A (0.43) | LMNAHTR6KDM4EALDH1A1 | |
| SCHEMBL10415353 | 0.81 | DRD3 (0.48) | LMNARAB9ASMN1; SMN2KMT2AHTR6 | |
| SCHEMBL1545439 | 0.81 | KMT2A (0.45) | NPC1RAB9AKMT2AMAPK1 | |
| Hydrochloric Acid SCHEMBL9778468 | 0.80 | DRD3 (0.47) | LMNARAB9ASMN1; SMN2KMT2AHTR6 | |
| SCHEMBL9778473 | 0.79 | MAT2A (0.49) | SMOMAT2AHTR3ALMNATP53 | |
| SCHEMBL9778410 | 0.78 | HTR6 (0.48) | MAT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9680590 | 0.78 | KHK (0.58) | MAT2AHTR3EHTR3BHTR3AHTR3D | |
| Fumaric Acid SCHEMBL8854165 | 0.78 | HTR1A (0.40) | LMNAHTR6KDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4954503-A | ANALGESIC, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1990-09-04 | — | — | US | claimed |
| US-5077405-A | Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-12-31 | — | — | US | disclosed |
| US-4954503-A | ANALGESIC, ANTIPSYCHOTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1990-09-04 | — | — | US | disclosed |