Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 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 | |
|---|---|---|---|---|
| SCHEMBL22668534 | 0.86 | TSHR (0.52) | TSHRALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL20253620 | 0.86 | TSHR (0.68) | TSHRALDH1A1MEN1KMT2AGAA | |
| SCHEMBL3890951 | 0.84 | TSHR (0.74) | TSHRALDH1A1MEN1KMT2AGAA | |
| SCHEMBL7143000 | 0.84 | TSHR (0.74) | TSHRALDH1A1MEN1KMT2AGAA | |
| SCHEMBL7939268 | 0.77 | TSHR (0.55) | TSHRALDH1A1MEN1KMT2AGAA | |
| SCHEMBL9420155 | 0.77 | TSHR (0.55) | TSHRALDH1A1MEN1KMT2AGAA | |
| SCHEMBL31517148 | 0.77 | EPHX1 (0.50) | TSHRALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL9250347 | 0.75 | TSHR (0.49) | TSHRALDH1A1MEN1KMT2AGAA | |
| SCHEMBL31517139 | 0.74 | EPHX1 (0.50) | ALDH1A1MEN1KMT2AGAAKDM4E | |
| SCHEMBL14968008 | 0.73 | TSHR (0.57) | TSHRALDH1A1MEN1KMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5869697-A | Process for preparing diltiazem | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 1999-02-09 | — | — | US | claimed |
| US-6180785-B1 | REFLUXING AMINOTHIOPHENOL OR AMINOTHIONAPHTHOL WITH ALKOXYPHENYL-4-CARBOALKOXY-1,3,2-DIOXATHIOLANE | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2001-01-30 | — | — | US | disclosed |
| US-5869697-A | Process for preparing diltiazem | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 1999-02-09 | — | — | US | disclosed |