Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL775853 | 0.81 | TP53 (0.48) | TP53TAAR1CYP2A6LPLLIPG | |
| SCHEMBL21090345 | 0.81 | ESR1 (0.48) | TAAR1SLC6A4 | |
| SCHEMBL16710812 | 0.81 | PPARG (0.38) | SLC6A4ALDH1A1CA2TSHRDDB1 | |
| SCHEMBL11316455 | 0.77 | TP53 (0.43) | TP53TAAR1CYP2A6LPLLIPG | |
| SCHEMBL11127799 | 0.77 | TP53 (0.43) | TP53TAAR1CYP2A6LPLLIPG | |
| SCHEMBL23805333 | 0.75 | ACHE (0.40) | CYP2A6ALDH1A1CYP1A2NPC1RAB9A | |
| SCHEMBL16710872 | 0.75 | TP53 (0.42) | TP53TAAR1SLC6A4CYP2A6LPL | |
| SCHEMBL24596801 | 0.74 | HSD11B1 (0.33) | SLC6A4ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL21049858 | 0.73 | TXN (0.32) | — | |
| SCHEMBL776077 | 0.72 | HPGD (0.55) | TAAR1ALDH1A1CYP1A2ATMSMN1; SMN2 |
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-2018031662-A1 | PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF | GENENTECH, INC. (US) | 2018-02-15 | — | — | WO | disclosed |