Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 2-Nitroaniline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 2-Nitroaniline SCHEMBL10492637 | 0.98 | PDE7A (0.51) | PDE7ASMN1; SMN2ALDH1A1TDP1TSHR | |
| 2-Nitroaniline SCHEMBL27642189 | 0.88 | PDE7A (0.56) | PDE7ASMN1; SMN2ALDH1A1TDP1TSHR | |
| 2-Nitroaniline SCHEMBL29396517 | 0.86 | PDE7A (0.62) | PDE7ASMN1; SMN2ALDH1A1TDP1TSHR | |
| 2-Nitroaniline SCHEMBL6000 | 0.86 | PDE7A (0.62) | PDE7ASMN1; SMN2ALDH1A1TDP1TSHR | |
| 2-Nitroaniline SCHEMBL29088649 | 0.86 | MAPK1 (0.50) | PDE7ASMN1; SMN2ALDH1A1TDP1TSHR | |
| 2-Nitroaniline SCHEMBL28994584 | 0.86 | MAPK1 (0.50) | PDE7ASMN1; SMN2ALDH1A1TDP1TSHR | |
| Alcohol SCHEMBL28325416 | 0.84 | HSD17B10 (0.54) | ALDH1A1TDP1TSHRHSD17B10LMNA | |
| 2-Nitroaniline SCHEMBL3094201 | 0.84 | PDE7A (0.60) | PDE7ASMN1; SMN2ALDH1A1TDP1TSHR | |
| 2-Nitroaniline SCHEMBL859788 | 0.84 | PDE7A (0.60) | PDE7ASMN1; SMN2ALDH1A1TDP1TSHR | |
| 2-Nitroaniline SCHEMBL20876419 | 0.84 | PDE7A (0.60) | PDE7ASMN1; SMN2ALDH1A1TDP1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100344677-C | Gel composition | PANRICO PARTNERSHIP INC (US) | 2007-10-24 | — | — | CN | disclosed |
| CN-1174037-C | Gel composition | �����ɺϻ﹫˾ | 2004-11-03 | — | — | CN | disclosed |
| CN-1385457-A | Gel composition | PANRICO PARTNERSHIP INC (US) | 2002-12-18 | — | — | CN | disclosed |
| CN-1324380-A | Gel composition | PENRECO (US) | 2001-11-28 | — | — | CN | disclosed |