Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11589751 | 1.00 | MEN1 (0.38) | MEN1KMT2ACYP2D6TSHRCYP2C9 | |
| SCHEMBL11592516 | 0.91 | CYP2D6 (0.43) | MEN1KMT2ACYP2D6TSHRCYP2C9 | |
| SCHEMBL9254326 | 0.91 | CYP2D6 (0.43) | MEN1KMT2ACYP2D6TSHRCYP2C9 | |
| SCHEMBL11592700 | 0.91 | TSHR (0.43) | MEN1KMT2ACYP2D6TSHRCYP2C9 | |
| SCHEMBL11647708 | 0.91 | TSHR (0.43) | MEN1KMT2ACYP2D6TSHRCYP2C9 | |
| SCHEMBL9254313 | 0.91 | CYP2D6 (0.43) | MEN1KMT2ACYP2D6TSHRCYP2C9 | |
| SCHEMBL9254318 | 0.91 | CYP2D6 (0.43) | MEN1KMT2ACYP2D6TSHRCYP2C9 | |
| Hydrochloric Acid SCHEMBL11650126 | 0.89 | CYP2D6 (0.42) | MEN1KMT2ACYP2D6TSHRCYP2C9 | |
| Hydrochloric Acid SCHEMBL11589999 | 0.89 | CYP2D6 (0.42) | MEN1KMT2ACYP2D6TSHRCYP2C9 | |
| SCHEMBL11591841 | 0.84 | CYP2D6 (0.47) | MEN1KMT2ACYP2D6TSHRCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4113777-A | ANTISECRETORY, ANTITUSSIVE, ANTIULCER | BOEHRINGER INGELHEIM GMBH (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |