Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | TPMT | P51580 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8676376 | 0.85 | KDM4E (0.50) | KDM4EPOLBMEN1KMT2ATAAR1 | |
| SCHEMBL17908051 | 0.82 | TSHR (0.64) | TSHRKDM4EPOLBMEN1KMT2A | |
| SCHEMBL17908100 | 0.82 | TSHR (0.64) | TSHRKDM4EPOLBMEN1KMT2A | |
| SCHEMBL11582979 | 0.81 | MEN1 (0.57) | MEN1KMT2ACYP2D6ADRB2ADRB1 | |
| SCHEMBL8676380 | 0.79 | MEN1 (0.53) | KDM4EMEN1KMT2AADRB2ADRB1 | |
| SCHEMBL11762781 | 0.79 | CASR (0.52) | KDM4EMEN1KMT2ACYP2D6ADRB2 | |
| SCHEMBL16517768 | 0.79 | TSHR (0.68) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL16517769 | 0.79 | TSHR (0.68) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL16535112 | 0.79 | TSHR (0.68) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL8675291 | 0.78 | FDPS (0.61) | KDM4EMEN1KMT2A |
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-5939578-A | MULTISTAGE REACTION STARTING WITH VANILLIN AND SODIUM HYDROXIDE TO FORM VANILLIC ACID, REACTION WITH EPICHLOROHYDRIN OR EPIBROMOHYDRIN, AMINATION WITH TERT-BUTYLAMINE AND OPTIONAL ESTERIFICATION | Lin, Tong-Ho (TW) | 1999-08-17 | — | — | US | claimed |
| US-5939578-A | MULTISTAGE REACTION STARTING WITH VANILLIN AND SODIUM HYDROXIDE TO FORM VANILLIC ACID, REACTION WITH EPICHLOROHYDRIN OR EPIBROMOHYDRIN, AMINATION WITH TERT-BUTYLAMINE AND OPTIONAL ESTERIFICATION | Lin, Tong-Ho (TW) | 1999-08-17 | — | — | US | disclosed |