Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 | 0.81 | VCAM1 (0.77) | VCAM1KDM4EMEN1KMT2AALDH1A1 | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 | 0.81 | VCAM1 (0.77) | VCAM1KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL261022 | 0.81 | NPC1 (0.74) | KDM4ENPC1RAB9AHKDC1TDP1 | |
| SCHEMBL30917341 | 0.81 | NPC1 (0.74) | KDM4ENPC1RAB9AHKDC1TDP1 | |
| SCHEMBL27609695 | 0.80 | NPC1 (0.72) | KDM4ENPC1RAB9AHKDC1TDP1 | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL28165768 | 0.80 | VCAM1 (0.74) | VCAM1KDM4EL3MBTL1MEN1KMT2A | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL8028245 | 0.80 | VCAM1 (0.74) | VCAM1KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL27609657 | 0.80 | NPC1 (0.72) | KDM4ENPC1RAB9AHKDC1TDP1 | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608947 | 0.80 | VCAM1 (0.74) | VCAM1KDM4EMEN1KMT2AALDH1A1 | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608939 | 0.80 | VCAM1 (0.74) | VCAM1KDM4EMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1399443-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2004-03-24 | — | — | EP | disclosed |
| WO-2003087098-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-10-23 | — | — | WO | disclosed |