Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.88 |
| ▸ | BLM | P54132 | 3/20 | 0.88 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.88 |
| ▸ | MAPT | P10636 | 3/20 | 0.88 |
| ▸ | LMNA | P02545 | 3/20 | 0.88 |
| ▸ | TSHR | P16473 | 3/20 | 0.88 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.88 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.88 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.88 |
| ▸ | HTR1A | P08908 | 2/20 | 0.88 |
| ▸ | HTR2A | P28223 | 2/20 | 0.88 |
| ▸ | HTR2C | P28335 | 2/20 | 0.88 |
| ▸ | HTR2B | P41595 | 2/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.88 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.88 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.88 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.88 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.88 |
| ▸ | HTR7 | P34969 | 1/20 | 0.88 |
| ▸ | MTOR | P42345 | 1/20 | 0.88 |
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 | |
|---|---|---|---|---|
| Oxitriptan SCHEMBL2721519 | 1.00 | KMT2A (0.88) | KMT2ABLMKDM4EMAPTLMNA | |
| Oxitriptan SCHEMBL5921917 | 1.00 | KMT2A (0.88) | KMT2ABLMKDM4EMAPTLMNA | |
| Oxitriptan SCHEMBL30209795 | 1.00 | KMT2A (0.88) | KMT2ABLMKDM4EMAPTLMNA | |
| Oxitriptan SCHEMBL4063333 | 1.00 | KMT2A (0.88) | KMT2ABLMKDM4EMAPTLMNA | |
| Oxitriptan SCHEMBL43242 | 0.94 | NPSR1 (1.00) | KMT2ABLMKDM4EMAPTLMNA | |
| Oxitriptan SCHEMBL1421238 | 0.94 | NPSR1 (1.00) | KMT2ABLMKDM4EMAPTLMNA | |
| Oxitriptan SCHEMBL21114382 | 0.94 | NPSR1 (1.00) | KMT2ABLMKDM4EMAPTLMNA | |
| Oxitriptan SCHEMBL21114383 | 0.94 | NPSR1 (1.00) | KMT2ABLMKDM4EMAPTLMNA | |
| Oxitriptan SCHEMBL3033706 | 0.94 | NPSR1 (1.00) | KMT2ABLMKDM4EMAPTLMNA | |
| Oxitriptan SCHEMBL19871232 | 0.94 | NPSR1 (1.00) | KMT2ABLMKDM4EMAPTLMNA |
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-1015479-A4 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | LILLY CO ELI (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1015479-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1998046631-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |