Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | G6PD | P11413 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17576182 | 0.87 | GRM2 (0.43) | TLR8ALDH1A1POLBKMT2AGRM2 | |
| SCHEMBL18263437 | 0.80 | CAMK2D (0.36) | TLR8ALDH1A1POLBKMT2ATDP1 | |
| SCHEMBL5066832 | 0.79 | — | — | |
| SCHEMBL2495415 | 0.70 | TP53 (0.45) | ALDH1A1POLBKMT2AMGLLFAAH | |
| SCHEMBL25506085 | 0.70 | TBXAS1 (0.37) | POLBTBXAS1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL6678530 | 0.70 | PTGS1 (0.48) | TLR8ALDH1A1POLBKMT2APTGS1 | |
| SCHEMBL10767578 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KMT2APTGS1PTGS2MGLL | |
| SCHEMBL11983637 | 0.69 | RAB9A (0.37) | ALDH1A1POLBMAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL8778695 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KMT2APTGS1PTGS2MGLL | |
| SCHEMBL12096492 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KMT2APTGS1PTGS2MGLL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2173725-A2 | NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS | Bristol-Myers Squibb Company (US) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009009501-A2 | NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |