Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | ELANE | P08246 | 3/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1810060 | 0.78 | — | — | |
| SCHEMBL3860414 | 0.72 | NOS1 (0.48) | NOS1NOS2CYP1A2S100A4KDM4E | |
| SCHEMBL7923182 | 0.70 | NOS1 (0.41) | NOS1NOS2CYP1A2ELANEKDM4E | |
| SCHEMBL31194844 | 0.70 | NOS1 (0.41) | NOS1NOS2CYP1A2ELANEKDM4E | |
| SCHEMBL14697140 | 0.69 | KDM4E (0.41) | CYP1A2KDM4EPOLBRAB9ACYP1B1 | |
| SCHEMBL177463 | 0.69 | KDM4E (0.41) | CYP1A2KDM4EPOLBRAB9ACYP1B1 | |
| Hydrochloric Acid SCHEMBL23290959 | 0.68 | NOS1 (0.40) | NOS1NOS2CYP1A2ELANEKDM4E | |
| Ammonia Solution, Strong SCHEMBL17104360 | 0.68 | NOS1 (0.40) | NOS1NOS2CYP1A2ELANEKDM4E | |
| SCHEMBL12596676 | 0.68 | CYP1A2 (0.38) | NOS1NOS2CYP1A2ELANEKDM4E | |
| Hydrochloric Acid SCHEMBL29733327 | 0.68 | NOS1 (0.40) | NOS1NOS2CYP1A2ELANEKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1425010-B8 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | JANSSEN PHARMACEUTICALS INC (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-1425010-A4 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1425010-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2004-06-09 | — | — | EP | disclosed |
| WO-2002060438-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-08-08 | — | — | WO | disclosed |