Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8331070 | 0.82 | HTR2C (0.44) | MAOAHDAC4KDM1AMAOBHTR2C | |
| SCHEMBL7470350 | 0.82 | SMN1; SMN2 (0.49) | MAOASMN1; SMN2NPSR1HDAC4ALDH1A1 | |
| SCHEMBL9667064 | 0.81 | MAOA (0.51) | MAOASMN1; SMN2NPSR1HDAC4ALDH1A1 | |
| SCHEMBL8330435 | 0.81 | KDM1A (0.49) | HDAC4MAPTKDM1AHTR2CSLC6A3 | |
| SCHEMBL8333596 | 0.81 | SLC9A1 (0.47) | MAOAHTR2CDRD3SLC6A3 | |
| SCHEMBL23178022 | 0.80 | MAOA (0.47) | MAOASMN1; SMN2NPSR1HDAC4ALDH1A1 | |
| SCHEMBL6753602 | 0.80 | KDM1A (0.49) | MAOAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL7003744 | 0.80 | DRD2 (0.42) | ALDH1A1HPGDMAPK1LMNADRD3 | |
| SCHEMBL6753603 | 0.80 | KDM1A (0.49) | MAOAALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8330940 | 0.79 | MAOA (0.49) | MAOASMN1; SMN2NPSR1SIGMAR1DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1097153-B1 | NOVEL TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS | ASTRAZENECA AB (SE) | 2003-10-01 | — | — | EP | disclosed |
| US-5889031-A | CONTROLLING CIRCADIAN RHYTHMS | BRISTOL-MYERS SQUIBB COMPNAY (US) | 1999-03-30 | — | — | US | disclosed |
| US-5753709-A | N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-19 | — | — | US | disclosed |