Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17841964 | 0.80 | HPRT1 (0.58) | CYP2A6CYP1A2PAX8HPRT1TDP1 | |
| SCHEMBL9209062 | 0.78 | CYP2A6 (0.61) | CYP2A6CYP1A2PAX8HPRT1TYMS | |
| SCHEMBL9765602 | 0.77 | CYP2A6 (0.67) | CYP2A6CYP1A2PAX8HPRT1TDP1 | |
| SCHEMBL9369007 | 0.76 | AKR1B1 (0.44) | CYP2A6CYP1A2PAX8TDP1ALDH1A1 | |
| SCHEMBL7755100 | 0.74 | HPRT1 (0.55) | CYP2A6CYP1A2PAX8HPRT1TYMS | |
| SCHEMBL268735 | 0.73 | ALDH1A1 (0.65) | CYP2A6CYP1A2PAX8HPRT1TDP1 | |
| SCHEMBL29391827 | 0.73 | ALDH1A1 (0.65) | CYP2A6CYP1A2PAX8HPRT1TDP1 | |
| SCHEMBL30186719 | 0.73 | ALDH1A1 (0.65) | CYP2A6CYP1A2PAX8HPRT1TDP1 | |
| SCHEMBL28658036 | 0.73 | CYP2A6 (0.50) | CYP2A6CYP1A2PAX8HPRT1TYMS | |
| SCHEMBL9212130 | 0.71 | CYP2A6 (0.56) | CYP2A6CYP1A2PAX8HPRT1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0272621-B1 | Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones | BASF Aktiengesellschaft (DE) | 1991-11-27 | — | — | EP | disclosed |
| US-4845302-A | Preparation of 5H-dibenzo[a,d]cyclohepten-5-ones | BASF AKTIENGSELLSCHAFT (DE) | 1989-07-04 | — | — | US | disclosed |
| EP-0272621-A2 | Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones | BASF Aktiengesellschaft (DE) | 1988-06-29 | — | — | EP | disclosed |