Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.57 |
| ▸ | MC4R | P32245 | 2/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13832686 | 0.86 | CXCR4 (0.53) | MAN1B1MC4RCXCR4HTR2CHTR2A | |
| SCHEMBL11908903 | 0.86 | CXCR4 (0.53) | MAN1B1MC4RCXCR4HTR2CHTR2A | |
| SCHEMBL4953532 | 0.83 | CXCR4 (0.50) | MAN1B1MC4RCXCR4HTR2CKMT2A | |
| SCHEMBL20314106 | 0.83 | MEN1 (0.43) | MAN1B1MC4RCXCR4MEN1KMT2A | |
| SCHEMBL2934330 | 0.82 | CXCR4 (0.69) | MAN1B1CXCR4HTR2CHTR2AMEN1 | |
| SCHEMBL16083006 | 0.82 | CXCR4 (0.69) | MAN1B1CXCR4HTR2CHTR2AMEN1 | |
| SCHEMBL20324536 | 0.82 | HDAC4 (0.46) | MAN1B1MC4RCXCR4ALDH1A1 | |
| SCHEMBL6946412 | 0.81 | PRMT5 (0.60) | MAN1B1CXCR4HTR2CHTR2AMEN1 | |
| SCHEMBL20325156 | 0.80 | CXCR4 (0.54) | CXCR4MEN1KMT2ANPC1ALDH1A1 | |
| SCHEMBL21892420 | 0.80 | CXCR4 (0.49) | MAN1B1MC4RCXCR4ALDH1A1ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1541143-A1 | DPP-IV INHIBITORS | Graffinity Pharmaceuticals Aktiengesellschaft (DE) | 2005-06-15 | — | — | EP | disclosed |
| US-5854268-A | Azetidine, pyrrolidine and piperidine derivatives | MERCK SHARP & DOHME, LTD. (GB) | 1998-12-29 | — | — | US | disclosed |
| EP-0804434-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996004274-A1 | AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-15 | — | — | WO | disclosed |