Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.40 |
| ▸ | HTR1B | P28222 | 3/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR1E | P28566 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30065739 | 0.83 | AHR (0.50) | HTR1AHTR1BADRB1HTR2CHTR1D | |
| SCHEMBL951816 | 0.83 | AHR (0.50) | HTR1AHTR1BADRB1HTR2CHTR1D | |
| SCHEMBL10213320 | 0.75 | GABRA1 (0.47) | HTR1AHTR1BADRB1HTR2CSLC6A3 | |
| SCHEMBL8913207 | 0.72 | HTR1A (0.45) | HTR1AHTR1BADRB1HTR2CSLC6A3 | |
| SCHEMBL20599963 | 0.72 | HTR2A (0.63) | HTR1AHTR1BADRB1HTR2CSLC6A3 | |
| Ethoxycarbonyl Group SCHEMBL28293163 | 0.70 | PKM (0.41) | HTR1ASLC6A4KDM4EMAPTCYP1A2 | |
| Tert-Butyl Formate SCHEMBL27892365 | 0.70 | DAO (0.39) | HTR1ASLC6A4OPRK1AHRDAO | |
| SCHEMBL10719680 | 0.70 | GLS (0.48) | HTR1AHTR1BADRB1HTR2CSLC6A3 | |
| SCHEMBL6536568 | 0.70 | AHR (0.47) | HTR1AHTR1BHTR2CHTR1DHTR2A | |
| 2-Methylindole SCHEMBL7697406 | 0.69 | AHR (0.45) | KDM4EMAPTPOLBCYP1A2LMNA |
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-1121342-A1 | DIAMINOPROPIONIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000021920-A1 | DIAMINOPROPIONIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-04-20 | — | — | WO | disclosed |