Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6014441

CCC(Cc1ccccc1)[N+](=O)[O-].N

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 6/20 0.45
TRPA1 O75762 1/20 0.42
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPG P10696 1/20 0.40
SLC6A2 P23975 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL28232642 0.98 CPA1 (0.46) CPA1TRPA1ALPLPOLBALPG
SCHEMBL9356423 0.84 CPA1 (0.44) CPA1ALPLPOLBALPGSLC6A2
SCHEMBL5981148 0.79 CPA1 (0.50) CPA1TRPA1ALPLPOLBALPG
SCHEMBL8977883 0.79 CPA1 (0.59) CPA1NPC1
SCHEMBL28259287 0.79 CPA1 (0.50) CPA1TRPA1ALPLPOLBALPG
SCHEMBL9279472 0.79 CPA1 (0.46) CPA1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL4436809 0.79 CPA1 (0.46) CPA1TRPA1ALPLPOLBALPG
SCHEMBL27972926 0.79 CPA1 (0.42) CPA1SLC6A2TAAR1SIGMAR1MAOA
SCHEMBL9756637 0.78 CPA1 (0.49) CPA1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL14960662 0.77 CPA1 (0.49) CPA1ALPLPOLBALPGNPC1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CPA1 1319/4885TRPA1 2180/4885ALPL 4406/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CPA1 1319/4885TRPA1 2180/4885ALPL 4406/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.