Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | CTSC | P53634 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29065811 | 1.00 | CYP2C19 (0.61) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28814778 | 1.00 | CYP2C19 (0.61) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL888814 | 0.85 | CYP2C19 (0.54) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL888821 | 0.85 | CYP2C19 (0.54) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL30973538 | 0.85 | CYP2C19 (0.54) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1176719 | 0.83 | CYP2C19 (0.49) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL10120402 | 0.82 | CYP2C19 (0.51) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL10120404 | 0.82 | CYP2C19 (0.51) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5724646 | 0.81 | CYP2C19 (0.62) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL30973473 | 0.80 | CYP2C19 (0.49) | CYP2C19RAB9ANPC1ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114891838-B | Synthesis method of dorzolamide hydrochloride intermediate (S) -3- (2-thiophenyl) -butyric acid | 株洲壹诺生物技术有限公司 | 2023-09-08 | — | — | CN | claimed |
| CN-114891838-B | Synthesis method of dorzolamide hydrochloride intermediate (S) -3- (2-thiophenyl) -butyric acid | 株洲壹诺生物技术有限公司 | 2023-09-08 | — | — | CN | disclosed |