Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | MAOA | P21397 | 5/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL28509108 | 0.82 | TSHR (0.65) | TSHRCYP3A4TAAR1TDP1HSD17B10 | |
| Aniline SCHEMBL1984004 | 0.81 | — | — | |
| Aniline SCHEMBL11818606 | 0.81 | — | — | |
| Aniline SCHEMBL30876135 | 0.80 | — | — | |
| SCHEMBL22096536 | 0.80 | TSHR (1.00) | TSHRCYP3A4TAAR1TDP1HSD17B10 | |
| Aniline SCHEMBL11803 | 0.80 | — | — | |
| Aniline SCHEMBL9755597 | 0.80 | TSHR (1.00) | TSHRCYP3A4TAAR1TDP1HSD17B10 | |
| SCHEMBL18517570 | 0.80 | TSHR (1.00) | TSHRCYP3A4TAAR1TDP1HSD17B10 | |
| Aniline SCHEMBL11811648 | 0.80 | TSHR (1.00) | TSHRCYP3A4TAAR1TDP1HSD17B10 | |
| Aniline SCHEMBL16922171 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109956960-A | A kind of synthetic method of isothiourea class catalyst | 上海工程技术大学 | 2019-07-02 | — | — | CN | claimed |
| CN-109956960-A | A kind of synthetic method of isothiourea class catalyst | 上海工程技术大学 | 2019-07-02 | — | — | CN | disclosed |
| CN-109956960-A | A kind of synthetic method of isothiourea class catalyst | 上海工程技术大学 | 2019-07-02 | — | — | CN | disclosed |