Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.37 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.37 |
| ▸ | TXNRD2 | Q9NNW7 | 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 | |
|---|---|---|---|---|
| SCHEMBL11172226 | 0.89 | ALDH1A1 (0.47) | TSHRGPR35ALDH1A1TDP1HPGD | |
| SCHEMBL11129605 | 0.84 | TXNRD1 (0.40) | TSHRGPR35ALDH1A1TDP1GABRA1 | |
| SCHEMBL11002560 | 0.84 | TSHR (0.50) | TSHRGPR35ALDH1A1TDP1HPGD | |
| SCHEMBL30367918 | 0.84 | ALDH1A1 (0.58) | TSHRALDH1A1TDP1HPGDMEN1 | |
| SCHEMBL1135905 | 0.84 | ALDH1A1 (0.58) | TSHRALDH1A1TDP1HPGDMEN1 | |
| SCHEMBL10766133 | 0.83 | TDP1 (0.53) | TSHRGPR35ALDH1A1TDP1MAPT | |
| SCHEMBL10229496 | 0.83 | ALDH1A1 (0.44) | TSHRGPR35ALDH1A1TDP1HPGD | |
| Bromide SCHEMBL28506426 | 0.82 | ALDH1A1 (0.56) | TSHRALDH1A1TDP1HPGDMEN1 | |
| SCHEMBL2480650 | 0.82 | TSHR (0.60) | TSHRGPR35ALDH1A1TDP1HPGD | |
| SCHEMBL1135430 | 0.81 | GPR35 (0.51) | GPR35ALDH1A1TDP1GABRA1GABRB2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0251953-A1 | Process for the preparation of dinitroalkyl benzenes | RHONE-POULENC CHIMIE (FR) | 1988-01-07 | — | — | EP | claimed |
| US-20190126194-A1 | CYCLOHEXANEDIAMINES FOR USE IN GAS SCRUBBING | BASF SE (DE) | 2019-05-02 | — | — | US | disclosed |
| EP-0251953-A1 | Process for the preparation of dinitroalkyl benzenes | RHONE-POULENC CHIMIE (FR) | 1988-01-07 | — | — | EP | disclosed |
| EP-0251953-A1 | Process for the preparation of dinitroalkyl benzenes | RHONE-POULENC CHIMIE (FR) | 1988-01-07 | — | — | EP | disclosed |
| EP-0251953-A1 | Process for the preparation of dinitroalkyl benzenes | RHONE-POULENC CHIMIE (FR) | 1988-01-07 | — | — | EP | disclosed |
| US-4394495-A | CONDENSATION POLYMERIZATION | BAYER AKTIENGESELLSCHAFT (DE) | 1983-07-19 | — | — | US | disclosed |