Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21134674 | 0.83 | ADRB2 (0.43) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL17790152 | 0.80 | TSHR (0.59) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL6678856 | 0.80 | ADRB2 (0.47) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL19518928 | 0.80 | TSHR (0.59) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL3789761 | 0.80 | TSHR (0.59) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL14862309 | 0.79 | CYP2D6 (0.47) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL16268264 | 0.79 | ADRB2 (0.61) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL14862464 | 0.79 | CYP2D6 (0.47) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL6824856 | 0.79 | ALDH1A1 (0.41) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL13879241 | 0.78 | ADRB2 (0.50) | ADRB2ADRB1NISCHAOC3CYP2D6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10676433-B2 | Indole derivatives and their use in neurodegenerative diseases | MERCK PATENT GMBH (DE) | 2020-06-09 | — | — | US | disclosed |
| US-20190161447-A1 | NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2019-05-30 | — | — | US | disclosed |
| CN-106674021-B | A kind of preparation method of substituted aniline | 联化科技(盐城)有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-106674021-A | Method for preparing substituted aniline | 联化科技(盐城)有限公司 | 2017-05-17 | — | — | CN | disclosed |
| US-9458110-B2 | Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-10-04 | — | — | US | disclosed |
| US-20160168090-A1 | NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | MERCK PATENT GMBH (DE) | 2016-06-16 | — | — | US | disclosed |
| US-20160016910-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2016-01-21 | — | — | US | disclosed |
| US-9126944-B2 | Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-09-08 | — | — | US | disclosed |
| US-20140243338-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-08-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160168090-A1 | NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | P2RX3, P2RX7, P2RX2 | ADRB2 202/4885ADRB1 168/4885NISCH 1907/4885 |
| US-20190161447-A1 | NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES | P2RX3, P2RX7, P2RX2 | ADRB2 202/4885ADRB1 168/4885NISCH 1907/4885 |
| US-10676433-B2 | Indole derivatives and their use in neurodegenerative diseases | P2RX3, ADORA2A, P2RX7 | ADRB2 187/4885ADRB1 142/4885NISCH 2110/4885 |
| US-20140243338-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | ROCK1, ROCK2, MYLK | ADRB2 842/4885ADRB1 1040/4885NISCH 4681/4885 |
| US-20160016910-A1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | ROCK1, ROCK2, MYLK | ADRB2 842/4885ADRB1 1040/4885NISCH 4681/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.