Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | CRHBP | P24387 | 1/20 | 0.53 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16366561 | 0.90 | ALDH1A1 (0.50) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6957148 | 0.88 | CRHBP (0.65) | ALDH1A1LMNACYP1A2CYP2C19CRHBP | |
| SCHEMBL3441973 | 0.85 | ALDH1A1 (0.48) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6967315 | 0.85 | KCNH2 (0.58) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3442513 | 0.85 | ALDH1A1 (0.46) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3441758 | 0.83 | PYCR1 (0.53) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3861529 | 0.81 | CYP1A2 (0.44) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16373478 | 0.81 | CES1 (0.52) | ALDH1A1LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25376679 | 0.80 | ALDH1A1 (0.60) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15265399 | 0.80 | ALDH1A1 (0.64) | ALDH1A1LMNACYP1A2CYP2D6CYP2C9 |
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-0713483-B1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRAZENECA AB (SE) | 2003-01-15 | — | — | EP | disclosed |
| US-6030985-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 2000-02-29 | — | — | US | disclosed |
| US-5807885-A | Amidine derivatives with nitric oxide synthetase activities | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |
| WO-1995005363-A1 | AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES | ASTRA AKTIEBOLAG (SE) | 1995-02-23 | — | — | WO | disclosed |