Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | HSPB1 | P04792 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.38 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.38 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.38 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29788520 | 0.83 | ATM (0.60) | TDP1ATMTSHRMAPK1ALDH1A1 | |
| SCHEMBL377777 | 0.83 | ATM (0.60) | TDP1ATMTSHRMAPK1ALDH1A1 | |
| SCHEMBL9504655 | 0.80 | TDP1 (0.49) | TDP1ATMHSPB1TSHRMAPK1 | |
| SCHEMBL15074725 | 0.80 | ATM (0.56) | TDP1ATMHSPB1TSHRMAPK1 | |
| SCHEMBL5181510 | 0.79 | MAPK1 (0.60) | TDP1TSHRMAPK1PDE7AALDH1A1 | |
| SCHEMBL216553 | 0.76 | TDP1 (0.72) | TDP1ATMHSPB1TSHRMAPK1 | |
| SCHEMBL29745239 | 0.76 | TDP1 (0.72) | TDP1ATMHSPB1TSHRMAPK1 | |
| SCHEMBL6368 | 0.75 | TDP1 (0.64) | TDP1ATMHSPB1TSHRMAPK1 | |
| SCHEMBL29537379 | 0.75 | TDP1 (0.64) | TDP1ATMHSPB1TSHRMAPK1 | |
| SCHEMBL57112 | 0.74 | TDP1 (1.00) | TDP1ATMHSPB1TSHRMAPK1 |
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-6333434-B1 | NITRATING BENZOTRICHLORIDE, CONVERTING TRICHLOROMETHYL GROUP INTO TRIFLUOROMETHYL GROUP BY REACTION WITH ANHYDROUS HYDROFLUORIC ACID, REDUCING NITRO GROUPS OF NITROBENZOTRIFLUORIDE TO FORM TRIFLUOROMETHYLANILINE | BAYER AKTIENGESELLSCHAFT (DE) | 2001-12-25 | — | — | US | disclosed |
| EP-1099686-A2 | Process for the preparation of trifluormethylanilines | BAYER AG (DE) | 2001-05-16 | — | — | EP | disclosed |
| EP-0700895-A2 | Process for the selective preparation of fluorinated aromatic amines and fluorinated aromatic amines with particularly low contents of defluorinated portions | BAYER AG (DE) | 1996-03-13 | — | — | EP | disclosed |