Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9808660 | 0.89 | ESR1 (0.45) | ESRRG | |
| SCHEMBL3687860 | 0.88 | PLK1 (0.41) | ALDH1A1L3MBTL1KMT2AESRRGCA2 | |
| Monoethanolamine SCHEMBL3973136 | 0.88 | CYP4A11 (0.45) | TDP1ESRRGCA12CA1CA2 | |
| SCHEMBL21764402 | 0.87 | TAAR1 (0.47) | TAAR1BACE1CYP1A2CYP2A6KDM4E | |
| SCHEMBL154857 | 0.83 | CYP4A11 (0.50) | TDP1CA12CA1CA2CA4 | |
| SCHEMBL1060928 | 0.83 | PLK1 (0.55) | KDM4EALDH1A1L3MBTL1KMT2ATDP1 | |
| SCHEMBL3976669 | 0.81 | KMT2A (0.47) | L3MBTL1KMT2ATDP1ESRRG | |
| SCHEMBL153898 | 0.80 | KMT2A (0.56) | ALDH1A1KMT2ACA2 | |
| SCHEMBL195630 | 0.80 | RARB (0.57) | ALDH1A1KMT2A | |
| SCHEMBL9808641 | 0.80 | NR1H4 (0.54) | L3MBTL1CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5045573-A | Alkanophenones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-09-03 | — | — | US | claimed |
| EP-0216884-B1 | PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS | MERCK PATENT GmbH (DE) | 1990-08-08 | — | — | EP | claimed |
| US-5045573-A | Alkanophenones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-09-03 | — | — | US | disclosed |
| EP-0216884-B1 | PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS | MERCK PATENT GmbH (DE) | 1990-08-08 | — | — | EP | disclosed |
| US-4861916-A | Photoinitiators for photopolymerization of unsaturated systems | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-08-29 | — | — | US | disclosed |