Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4938054 | 0.95 | TDP1 (0.46) | TDP1TSHRSMN1; SMN2HSD17B10PDE7A | |
| SCHEMBL7166893 | 0.90 | TDP1 (0.46) | TDP1TSHRSMN1; SMN2HSD17B10PDE7A | |
| SCHEMBL27321459 | 0.83 | TSHR (0.55) | TDP1TSHRSMN1; SMN2HSD17B10MAPT | |
| SCHEMBL1668133 | 0.83 | TDP1 (0.48) | TDP1TSHRSMN1; SMN2HSD17B10PDE7A | |
| SCHEMBL10777337 | 0.82 | TDP1 (0.48) | TDP1TSHRSMN1; SMN2HSD17B10MAPT | |
| SCHEMBL27884727 | 0.81 | GPR35 (0.50) | TDP1TSHRSMN1; SMN2HSD17B10CYP3A4 | |
| SCHEMBL17242666 | 0.81 | TSHR (0.45) | TDP1TSHRMAPTCYP3A4CYP1A2 | |
| SCHEMBL3393735 | 0.80 | GPR35 (0.46) | TDP1TSHRSMN1; SMN2PDE7AMAPT | |
| SCHEMBL7342960 | 0.79 | TSHR (0.48) | TDP1TSHRSMN1; SMN2MAPTCYP3A4 | |
| Alcohol SCHEMBL11148831 | 0.79 | FBP1 (0.46) | TDP1TSHRSMN1; SMN2HSD17B10PDE7A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101891680-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-103641765-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2014-03-19 | — | — | CN | disclosed |
| CN-101935301-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2013-10-16 | — | — | CN | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| EP-2032583-A1 | NEW CHEMICAL COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007144370-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-12-21 | — | — | WO | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |
| CN-1671700-A | Substituted alkylamine derivatives and methods of use | AMGEN INC (US) | 2005-09-21 | — | — | CN | disclosed |
| US-4395572-A | Process for preparing N-alkyl-nitroanilines | UNION CARBIDE CORPORATION (US) | 1983-07-26 | — | — | US | disclosed |
| US-4289907-A | Process for preparing N-alkyl-nitroanilines | UNION CARBIDE CORPORATION (US) | 1981-09-15 | — | — | US | disclosed |