Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 7/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | FYN | P06241 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | AHR | P35869 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Acenaphthene SCHEMBL28444594 | 0.86 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| Pyrene SCHEMBL27829598 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TSHRTDP1HPGD | |
| Acenaphthene SCHEMBL27742370 | 0.85 | TSHR (0.52) | ALDH1A1HSD17B10TSHRCYP2A6HPGD | |
| Acenaphthene SCHEMBL1162573 | 0.85 | TSHR (0.57) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| Acenaphthene SCHEMBL3416108 | 0.85 | TSHR (0.57) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| Acenaphthene SCHEMBL9017 | 0.85 | TSHR (0.57) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| Acenaphthene SCHEMBL28028969 | 0.85 | TSHR (0.57) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| Acenaphthene SCHEMBL29386207 | 0.85 | TSHR (0.57) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| Acenaphthene SCHEMBL598252 | 0.85 | TSHR (0.57) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| Acenaphthene SCHEMBL28014572 | 0.84 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108601788-A | EIF 4A-inhibiting compounds and methods relating thereto | 效应治疗股份有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-104039753-B | The compositions of phenylcycloalkyl methylamine derivative, synthesis and using method | 雷维瓦药品公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-105246486-A | Neuroactive steroids and methods of use thereof | SAGE THERAPEUTICS INC | 2016-01-13 | — | — | CN | disclosed |
| CN-104039753-A | Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives | REVIVA PHARMACEUTICALS INC | 2014-09-10 | — | — | CN | disclosed |