Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | ITK | Q08881 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | WNT1 | P04628 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL14097461 | 0.84 | HTR1D (0.57) | HTR1DPOLBCYP11B1CYP11B2ALOX5AP | |
| SCHEMBL7252900 | 0.73 | HTR1D (1.00) | HTR1DCYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL7253103 | 0.71 | HTR1D (0.67) | HTR1DCYP11B1CYP11B2EGFRWNT1 | |
| SCHEMBL6273746 | 0.70 | KDM4E (0.43) | KDM4E | |
| SCHEMBL7253244 | 0.69 | HTR1D (0.86) | HTR1DCYP11B1CYP11B2CYP19A1CYP17A1 | |
| SCHEMBL25681517 | 0.68 | ALOX5AP (0.52) | HTR1DCYP11B1CYP11B2ALOX5APALDH1A1 | |
| SCHEMBL34467103 | 0.68 | ALOX5AP (0.52) | HTR1DCYP11B1CYP11B2ALOX5APALDH1A1 | |
| SCHEMBL3450317 | 0.67 | AAK1 (0.58) | HTR1DCYP11B1CYP11B2ALOX5APCYP19A1 | |
| SCHEMBL16332779 | 0.64 | GRIN1 (0.44) | CYP11B2EGFRCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23187978 | 0.63 | CYP11B2 (0.64) | HTR1DCYP11B1CYP11B2KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7414046-B2 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-08-19 | — | — | US | disclosed |
| US-7414046-B2 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-08-19 | — | — | US | disclosed |
| US-RE40245-E1 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |
| US-RE40245-E1 | Gyrase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |
| EP-1341769-B1 | BACTERIAL GYRASE INHIBITORS AND USES THEREOF | VERTEX PHARMA (US) | 2007-10-17 | — | — | EP | disclosed |