Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | TACR2 | P21452 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL168272 | 1.00 | CA2 (0.56) | CA2CA1CYP1A2CYP2A6TAAR1 | |
| Ammonia Solution, Strong SCHEMBL9428103 | 0.97 | CA2 (0.54) | CA2CA1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL365821 | 0.97 | CA2 (0.54) | CA2CA1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL6545940 | 0.93 | CA2 (0.50) | CA2CA1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL2492800 | 0.93 | RARB (0.58) | CA2CA1CYP1A2CYP2A6TAAR1 | |
| SCHEMBL392911 | 0.92 | ESR1 (0.61) | CA2CYP1A2CYP2A6TAAR1ALDH1A1 | |
| SCHEMBL80498 | 0.90 | ESR1 (0.65) | CA2ALDH1A1HSD17B10ESR1ADRA2A | |
| SCHEMBL10762522 | 0.90 | ESR1 (0.65) | CA2ALDH1A1HSD17B10ESR1ADRA2A | |
| SCHEMBL168031 | 0.90 | ESR1 (0.65) | CA2ALDH1A1HSD17B10ESR1ADRA2A | |
| SCHEMBL167114 | 0.90 | ESR1 (0.65) | CA2ALDH1A1HSD17B10ESR1ADRA2A |
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-0564979-B1 | Method for the production of dixylylpropane | HOECHST AG (DE) | 1996-08-28 | — | — | EP | disclosed |
| EP-0564979-A2 | Method for the production of dixylylpropane | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-10-13 | — | — | EP | disclosed |