Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.91 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.91 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | NQO2 | P16083 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | PPARG | P37231 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL112792 | 0.95 | CYP1A2 (1.00) | CYP1A2CYP2A6RAB9ANQO2LMNA | |
| SCHEMBL29353188 | 0.95 | CYP1A2 (1.00) | CYP1A2CYP2A6RAB9ANQO2LMNA | |
| SCHEMBL5311432 | 0.95 | CYP1A2 (1.00) | CYP1A2CYP2A6RAB9ANQO2LMNA | |
| Formaldehyde SCHEMBL27438517 | 0.93 | CYP2A6 (0.86) | CYP1A2CYP2A6RAB9ANQO2LMNA | |
| Methane SCHEMBL9286464 | 0.93 | CYP1A2 (0.95) | CYP1A2CYP2A6RAB9ANQO2LMNA | |
| Ethane SCHEMBL28740950 | 0.93 | CYP1A2 (0.95) | CYP1A2CYP2A6RAB9ANQO2LMNA | |
| SCHEMBL27498364 | 0.93 | CYP1A2 (0.95) | CYP1A2CYP2A6RAB9ANQO2LMNA | |
| Water SCHEMBL17079094 | 0.93 | CYP1A2 (0.95) | CYP1A2CYP2A6RAB9ANQO2LMNA | |
| SCHEMBL11884025 | 0.93 | CYP1A2 (0.95) | CYP1A2CYP2A6RAB9ANQO2LMNA | |
| Naphthalene SCHEMBL18344242 | 0.93 | CYP1A2 (0.95) | CYP1A2CYP2A6RAB9ANQO2LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117800821-A | Method and catalyst for preparing chiral alpha-aryl propanal through asymmetric hydroformylation | 青岛科技大学 | 2024-04-02 | — | — | CN | disclosed |
| CN-107141391-B | Ethylene-polar styrene quasi-random copolymer and preparation method thereof | 中国科学院长春应用化学研究所 | 2020-03-13 | — | — | CN | disclosed |
| CN-107141391-A | A kind of quasi- random copolymer of ethylene polar styrene and preparation method thereof | 中国科学院长春应用化学研究所 | 2017-09-08 | — | — | CN | disclosed |
| CN-1212254-A | Method for preparing naproxen of methyl ester and S-(+) naproxen of methyl ester by using carbonylation | LANZHOU CHEM PHYS INST (CN) | 1999-03-31 | — | — | CN | disclosed |
| EP-0444171-A1 | ASYMMETRIC SYNTHESIS OF ACIDS BY THE PALLADIUM CATALYSED HYDROCARBOXYLATION OF OLEFINS | Université d'Ottawa/University of Ottawa (CA) | 1991-09-04 | — | — | EP | disclosed |
| WO-1991003452-A1 | ASYMMETRIC SYNTHESIS OF ACIDS BY THE PALLADIUM CATALYSED HYDROCARBOXYLATION OF OLEFINS | THE BRITISH PETROLEUM COMPANY PLC (GB) | 1991-03-21 | — | — | WO | disclosed |