Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | HTR2B | P41595 | 3/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL27464739 | 0.79 | NOTUM (0.38) | HTR2CHTR2BTSHRMEN1ALDH1A1 | |
| SCHEMBL28842199 | 0.78 | MTNR1A (0.46) | HTR2CHTR2BSRD5A1MEN1USP2 | |
| SCHEMBL21051656 | 0.76 | SRD5A1 (0.40) | HTR2CHTR2BSRD5A1TSHRNPC1 | |
| SCHEMBL27563667 | 0.73 | ACE (0.52) | TSHRCHRM2CHRM1NPC1MITF | |
| Hydrochloric Acid SCHEMBL5199076 | 0.71 | MAOA (0.42) | ALDH1A1HTR1AADRA2ASLC6A2HPGD | |
| SCHEMBL7433080 | 0.71 | SRD5A1 (0.42) | HTR2CHTR2BSRD5A1TSHRMEN1 | |
| Acetic Acid SCHEMBL10494848 | 0.69 | NOTUM (0.49) | MEN1ALDH1A1KMT2ANPC1MTNR1A | |
| SCHEMBL27733406 | 0.69 | MTNR1A (0.47) | TSHRCHRM2CHRM1NPC1MITF | |
| SCHEMBL31091227 | 0.68 | NOTUM (0.56) | HTR2CHTR2BSRD5A1TSHRMEN1 | |
| SCHEMBL30457259 | 0.66 | MEN1 (0.54) | TSHRMEN1USP2ALDH1A1CDK4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007146230-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2007-12-21 | — | — | WO | disclosed |