Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10784032 | 0.90 | ALDH1A1 (0.46) | TSHRMAPTLMNANPC1KDM4E | |
| SCHEMBL10753086 | 0.83 | ALDH1A1 (0.40) | TSHRMAPTLMNANPC1KDM4E | |
| SCHEMBL10750758 | 0.81 | MAPT (0.50) | MAPTLMNANPC1KDM4ETP53 | |
| SCHEMBL9632300 | 0.80 | ALDH1A1 (0.54) | MAPTLMNANPC1KDM4ETP53 | |
| SCHEMBL29465190 | 0.80 | PKM (0.43) | TSHRMAPTLMNANPC1CYP3A4 | |
| SCHEMBL16954443 | 0.80 | TSHR (0.61) | TSHRMAPTLMNAKDM4EALDH1A1 | |
| SCHEMBL10755320 | 0.79 | P2RX1 (0.40) | TSHRMAPTLMNANPC1KDM4E | |
| SCHEMBL27959715 | 0.78 | TSHR (0.59) | TSHRMAPTLMNACYP1A2CYP3A4 | |
| SCHEMBL14326989 | 0.78 | TSHR (0.59) | TSHRMAPTLMNACYP1A2CYP3A4 | |
| SCHEMBL10155626 | 0.78 | TSHR (0.63) | TSHRMAPTLMNASMN1; SMN2ALDH1A1 |
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-4659737-A | Substituted aminomethyl benzopyrans having anti-hypertensive activities | BAYER AKTIENGESELLSCHAFT (DE) | 1987-04-21 | — | — | US | disclosed |
| US-4647579-A | Circulation active novel substituted 4-hydroxy-benzopyrans | BAYER AKTIENGESELLSCHAFT (DE) | 1987-03-03 | — | — | US | disclosed |